基本情報
- 標準SMILES
CC(=O)OCCC(C)C- InChIKey
MLFHJEHSLIIPHL-UHFFFAOYSA-N- 分子式
- C7H14O2
- 平均分子量
- 130.18 g/mol
- 単同位体質量
- 130.09937969
概要
Iso-amyl acetate is an oily liquid; colorless; banana odor. Floats and mixes with water. Flammable, irritating vapor is produced. (USCG, 1999)
名称と識別子
- 優先名称
- Isoamyl Acetate
- IUPAC
- 3-methylbutyl acetate
- 現地名
- 酢酸イソアミル
- 英語名
- Isoamyl acetate
- 分子式
- C7H14O2
- 分子量
- 130.18
名称と別名
名称をさらに表示
データベース識別子
- CAS
123-92-2- PubChem CID
- 31276
- DTXSID
DTXSID9025453- ChEMBL
CHEMBL42013- ChEBI
CHEBI:31725- UNII
- Z135787824
- EC Number
- 204-662-3
- Nikkaji
- J2.012E
物性
構造計算による物性
- XLogP
- 2
- 極性表面積
- 26.3 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 2
- 回転可能結合数
- 4
- 重原子数
- 9
- 形式電荷
- 0
- 複雑度
- 86.9
実験および物理化学的性質
Cosmetics
Cosmetic ingredients (Isoamyl Acetate) -> CIR (Cosmetic Ingredient Review)
Solvent
LogP
log Kow = 2.25
2.25
2.13
2.55
Odor
Pear-like odor
Fruity, banana, sweet, fragrant, powerful odor
At room temperature, the low molecular- weight ester isoamyl acetate (IAA)... is a liquid with an intense, but pleasant banana-like odor.
Sweet fruity smell
Taste
Bittersweet taste reminiscent of pear ... Taste characteristics at 30 ppm: sweet fruity, banana-like with a green ripe nuance.
Slight apple taste
Density
0.876 at 59 °F (USCG, 1999) - Less dense than water; will float
0.876 at 15 °C/4 °C
DENSITY OF SATURATED AIR 1.03 (AIR= 1)
Relative density (water = 1): 0.87
0.868-0.878
0.876 at 59 °F
物理化学的性質
- 融点
- -78 °C · -78 °C (lit.)
- 沸点
- 142 °C/756 · 142 °C/756 mmHg (lit.)
- 比重(密度)
- 0.876 g/mL · 0.876 g/mL at 25 °C (lit.)
- 蒸気密度
- 4.5 · 4.5 (vs air)
- 蒸気圧
- 5 mm · 5 mm Hg ( 25 °C)
- 屈折率
- 20 · n20/D 1.4(lit.)
- FEMA
- 2055 · 2055 | ISOAMYL ACETATE
- 闪点
- 77 °F · 77 °F
- 貯蔵温度
- 5 °C · Store at +5°C to +30°C.
- 溶解性
- 1 ml/3ml、無色透明 · エタノール:可溶1ml/3ml、無色透明(60%エタノール)
- 外見
- liquid
- 色
- 無色透明
- 臭い (Odor)
- バナナのような匂い
- PH
- 7 · 7
- 由来生物
- synthetic
- においのタイプ
- フルーティーな
- 爆発限界(explosive limit)
- 1 · 1-10%(V)
- 水溶解度
- 0.2 g/100 · 0.20 g/100 mL。微溶性
- 比熱容量
- 1.91 J/ · Cp(liquid): 1.91 J/(g·K), at 25℃
- JECFA Number
- 43 · 43
- Merck
- 14 · 14,5111
- BRN
- 1744750 · 1744750
- Henry's Law Constant
- 10.25 at · 10.25 at 37 °C (static headspace-GC, Bylaite et al., 2004)
- Dielectric constant
- 5.6 · 5.6(20℃)
- 化粧品成分の機能
- 溶媒
- InChI
- 1S/C7H14O2/c1-6(2)4-5-9-7(3)8/h6H,4-5H2,1-3H3
- InChIKey
- MLFHJEHSLIIPHL-UHFFFAOYSA-N
- SMILES
- CC(C)CCOC(C)=O
- LogP
- 2.7 at · 2.7 at 35℃
- CAS データベース
- 123 · 123-92-2(CAS DataBase Reference)
- NISTの化学物質情報
- 1 · 1-Butanol, 3-methyl-, acetate(123-92-2)
- EPAの化学物質情報
- Isoamyl acetate (123-92-2)
化学的性質
化学的特性イソアミル酢酸エステルは化学式C7H14O2で知られる化合物ですこれは香りの成分として知られており特にバナナのような甘くフルーティーな香りを持つため食品添加物や香料に広く使用されていますこのエステルは通常酢酸とイソアミルアルコールの化学反応によって製造されます
化学的特性Isoamyl Acetate is a strongly fruity-smelling liquid and has been identified in many fruit aromas. It is the main component of banana aroma and is, therefore, also used in banana flavors. All isomers of amyl acetate are highly flammable, colorless to yellow, watery liquids. Isoamyl acetate has a fruity, banana, sweet, fragrant, powerful odor with a bittersweet taste reminiscent of pear. If impure, the odor is strong, penetrating and almost shocking. In commercial practice, amyl invariably means isoamyl.
化学性质イソアミル酢酸エステルの合成はエステル化反応により行われますこのプロセスはイソアミルアルコールと酢酸を酸触媒の存在下で反応させることによってエステルイソアミル酢酸エステルと水が生成されます反応は以下の化学方程式で表されます
安全と法規制
GHS分類
GHS Classification
Warning
H226: Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
This chemical does not meet GHS hazard criteria for < 0.1% (1 of 2937) of reports.
Warning
H226 (> 99.9%): Flammable liquid and vapor [Warning Flammable liquids]
危険有害性情報
Regulatory Information
Chemical: 1-Butanol, 3-methyl-, acetate
Regulation (EC) No 1831/2003 (amended)
1-Butanol, 3-methyl-, 1-acetate is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Butanol, 3-methyl-, 1-acetate are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 04-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/13689
1-Butanol, 3-methyl-, acetate: HSNO Approval: HSR001171 Approved with controls
The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
Fire Hazards
FLAMMABLE. Flashback along vapor trail may occur. Vapor may explode if ignited in an enclosed area. When heated emits acrid fumes. When exposed to flames can react vigorously with reducing materials. (USCG, 1999)
Flammable. Above 25 °C explosive vapour/air mixtures may be formed.
Fire Potential
Suitable extinguishing media: Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Highly flammable liquid when exposed to heat or flame; can react vigorously with reducing materials. Moderately explosive in the form of vapor when exposed to heat or flame.
Flammable liquid
Hazards Summary
Esters may induce narcosis in animal experiments, but workers' exposures are limited by irritating effects. See appendix in: [Dick RB, et al. Chemicals in the workplace: incorporating human neurobehavioral testing into the regulatory process. Am J Ind Med. 1998 May;33(5):439-53.] A skin, eye, and respiratory tract irritant; Inhalation of high concentrations can cause CNS depression; [ICSC] The pentyl acetates are sensory irritants in the work environment. At higher levels in animal experiments, they cause narcosis, hepatotoxicity, and developmental toxicity. [ACGIH]
FDA Requirements
Isoamyl acetate is a food additive permitted for direct addition to food for human consumption as a synthetic flavoring substance and adjuvant in accordance with the following conditions: a) they are used in the minimum quantity required to produce their intended effect, and otherwise in accordance with all the principles of good manufacturing practice, and b) they consist of one or more of the following, used alone or in combination with flavoring substances and adjuvants generally recognized as safe in food, prior-sanctioned for such use, or regulated by an appropriate section in this part.
安全と保護具
Fire Fighting
Extinguish with dry chemical, alcohol foam, or carbon dioxide. Water may be ineffective on fire. Cool exposed containers with water. (USCG, 1999)
Use alcohol-resistant foam, powder, carbon dioxide. In case of fire: keep drums, etc., cool by spraying with water.
First Aid Measures
Fresh air, rest. Refer for medical attention.
Remove contaminated clothes. Rinse skin with plenty of water or shower.
First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.
Rinse mouth. Give one or two glasses of water to drink. Refer for medical attention .
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
(General first aid procedures)
Fire Fighting Procedures
...use alcohol foam, carbon dioxide, dry chemical.
/When fighting fire wear/ self-contained breathing apparatus with a full facepiece operated in pressure- demand or other positive pressure mode.
If material on fire or involved in fire: Do not extinguish fire unless flow can be stopped. Use water in flooding quantities as fog. Solid streams of water may be ineffective. Cool all affected containers with flooding quantities of water. Apply water from as far a distance as possible. Use "alcohol" foam, carbon dioxide, or dry chemical. /Amyl acetate/
Use water spray to cool unopened containers.
For more Fire Fighting Procedures (Complete) data for ISOAMYL ACETATE (6 total), please visit the HSDB record page.
Storage Conditions
Keep container tightly closed in a dry and well-ventilated place. Containers which are opened must be carefully resealed and kept upright to prevent leakage.
Close tightly, and store in detached warehouse under full fire prevention control.
Cleanup Methods
Prevent leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided... Contain spillage, and then collect with an electrically protected vacuum cleaner or by wet-brushing and place in container for disposal according to local regulations.
Use personal protective equipment. Avoid breathing vapors, mist or gas. Ensure adequate ventilation. Remove all sources of ignition. Evacuate personnel to safe areas. Beware of vapors accumulating to form explosive concentrations. Vapors can accumulate in low areas.
1) Remove all ignition sources. 2) Ventilate area of spill or leak. 3) For small quantities, absorb on paper towels. Evaporate in safe place (such as fume hood). Allow sufficient time for evaporating vapors to completely clear hood ductwork. Burn paper in suitable location away from combustible materials. Large quantities can be collected & atomized in suitable combustion chamber. Isoamyl acetate should not be allowed to enter confined space, such as sewer, because of possibility of explosion.
Environmental consideration - Land spill: Dig a pit, pond, lagoon, or holding area to contain liquid or solid material. Dike surface flow using soil, sand bags, foamed polyurethane, or foamed concrete. Absorb bulk liquid with fly ash, cement powder, sawdust, or commerical sorbents. Apply fluorocarbon-water foam to diminish vapor and fire hazard. /Amyl acetate/
For more Cleanup Methods (Complete) data for ISOAMYL ACETATE (6 total), please visit the HSDB record page.
Nonfire Spill Response
Keep people away. Shut off ignition sources. Stop discharge if possible. Avoid contact with liquid and vapor. Stay upwind and use water spray to "knock down" vapor. Isolate and remove discharged material. Notify local health and pollution control agencies. (USCG, 1999)
Disposal Methods
SRP: Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in air, soil or water; effects on animal, aquatic and plant life; and conformance with environmental and public health regulations. If it is possible or reasonable use an alternative chemical product with less inherent propensity for occupational harm/injury/toxicity or environmental contamination.
SRP: Wastewater from contaminant suppression, cleaning of protective clothing/equipment, or contaminated sites should be contained and evaluated for subject chemical or decomposition product concentrations. Concentrations shall be lower than applicable environmental discharge or disposal criteria. Alternatively, pretreatment and/or discharge to a permitted wastewater treatment facility is acceptable only after review by the governing authority and assurance that "pass through" violations will not occur. Due consideration shall be given to remediation worker exposure (inhalation, dermal and ingestion) as well as fate during treatment, transfer and disposal. If it is not practicable to manage the chemical in this fashion, it must be evaluated in accordance with EPA 40 CFR Part 261, specifically Subpart B, in order to determine the appropriate local, state and federal requirements for disposal.
Amyl acetate is a waste chemical stream constituent which may be subjected to ultimate disposal by controlled incineration. /Amyl acetate/
Preventive Measures
Avoid contact with skin and eyes. Avoid inhalation of vapor or mist. Keep away from sources of ignition. -No smoking. Take measures to prevent the build up of electrostatic charge...
SRP: The scientific literature for the use of contact lenses by industrial workers is inconsistent. The benefits or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place.
Good industrial hygiene practices recommend that engineering controls be used to reduce environmental concn to the permissible exposure level. However, there are some exceptions where respirators may be used to control exposure. Respirators may be used when engineering and work practice controls are not technically feasible, when such controls are in the process of being installed, or when they fail and need to be supplemented. Respirators may also be used for operations which require entry into tanks or closed vessels, and in emergency situations. ... In addition to respirator selection, a complete respiratory protection program should be instituted which includes regular training, maintenance, inspection, cleaning, and evaluation.
Any clothing which becomes wet with liquid isoamyl acetate should be removed immediately and not reworn until the isoamyl acetate is removed from the clothing. Clothing wet with liquid isoamyl acetate should be placed in closed containers for storage until it can be discarded or until provision is made for the removal of isoamyl acetate from the clothing. If the clothing is to be laundered or otherwise cleaned to remove the isoamyl acetate, the person performing the operation should be informed of isoamyl acetate's hazardous properties.
For more Preventive Measures (Complete) data for ISOAMYL ACETATE (9 total), please visit the HSDB record page.
毒性情報
Environmental Fate
TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 130(SRC), determined from a log Kow of 2.25(2) and a regression-derived equation(3), indicates that isoamyl acetate is expected to have high mobility in soil(SRC). Volatilization of isoamyl acetate from moist soil surfaces may be an important fate process(SRC) given a Henry's Law constant of 5.87x10-4 atm-cu m/mole(4). Isoamyl acetate is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 5.6 mm Hg at 25 °C(5). Biodegradation data in soil were not available(SRC, 2015). Structurally similar butyl acetate present at 100 mg/L, reached 86% of its theoretical BOD in 2 weeks using an activated sludge inoculum in the Japanese MITI test(6) suggesting that biodegradation of isoamyl acetate may be an important environmental fate process in soil(SRC).
AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 130(SRC), determined from a log Kow of 2.25(2) and a regression-derived equation(3), indicates that isoamyl acetate is not expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(4) based upon a Henry's Law constant of 5.87 atm-cu m/mole(5). Using this Henry's Law constant and an estimation method(4), volatilization half-lives for a model river and model lake are 2 hours and 5 days, respectively(SRC). According to a classification scheme(6), an estimated BCF of 14(SRC), from its log Kow(2) and a regression-derived equation(3), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Biodegradation data in water were not available(SRC, 2015). Structurally similar butyl acetate present at 100 mg/L, reached 86% of its theoretical BOD in 2 weeks using an activated sludge inoculum in the Japanese MITI test(7)suggesting that biodegradation of isoamyl acetate may be an important environmental fate process in water(SRC).
ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), isoamyl acetate, which has a vapor pressure of 5.6 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase isoamyl acetate is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 5 days(SRC), calculated from its rate constant of 6.0x10-12 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). Isoamyl acetate does not contain chromophores that absorb at wavelengths >290 nm(4) and, therefore, is not expected to be susceptible to direct photolysis by sunlight(SRC).
Food Survey Values
Isoamyl acetate was identified, not quantified, in nectarines(1), bananas(2), kiwi fruit(3), pork volatiles(4,5) and cheese products from the French Alps(6). Isoamyl acetate has been identified, not quantified, in whiskey(7), beer(8,11) and cognac(9,11). US lager beers have reported ester concentrations, such as isoamyl acetate, ranging from 25-50 ppm(10). Isoamyl acetate has been reported in apple, apricot, banana, currants, guava, grape, berries, melon, papaya, peach, pear, pineapple, sauerkraut, tomato, ginger, vinegar, wheat and rye bread, cured pork, grape wines, rum, whiskies, cider, sherry, cocoa, tea, soybeans, olive, passion fruit, plum, plumcot, beans, mushroom, starfruit, mango, quince, litchi, shoyu (fermented soy hydrolysate), sake, malt, elderberry juice, cherimoya, mountain papaya, nectarine, naranjilla fruit and Roman chamomile oil(11).
Isoamyl acetate was identified in the skin and pulp of Queen Anne's Pocket Melon (Cucumis melo var. dudaim (L.) Naudin) at concentrations of 280.7 and 334.9 ug/kg, respectively(1). Isoamyl acetate was identified in 2 of 3 commercial fermented soybean (Glycine max) curds prepared in Taiwan and Hong Kong at concentrations of 541.0 and 9027.4 ug/kg, respectively(2).
Exposure Routes
The substance can be absorbed into the body by inhalation of its vapour and by ingestion.
inhalation, ingestion, skin and/or eye contact
Toxicity Summary
Safe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org
IDENTIFICATION AND USE: At room temperature, the low molecular-weight ester isoamyl acetate (IAA) is a clear liquid with an intense sweet, but pleasant, banana or pear-like odor. In alcohol solutions, mineral waters and syrups it is used as a pear flavor. It is also used as solvent for old oil colors, for tannins, nitrocellulose, lacquers, celluloid and camphor; swelling bath sponges; covering unpleasant odors, perfuming shoe polish; manufacturing artificial silk, leather, or pearls, photographic films, celluloid cements, waterproof varnishes, bronzing liquids, and metallic paints; dying and finishing textiles. Honey bees use IAA as an alarm pheromone, and store IAA in their poison sting. Due to its strong smell, which can be perceived at low concentrations, and because of supposedly low toxicity, IAA is used to test the effectiveness of respirators or gas masks. HUMAN EXPOSURE AND TOXICITY: There is a case of a patient who developed a severe reversible extrapyramidal syndrome after inhalation of IAA. IAA vapor is known to irritate eyes, skin and respiratory tract, and to cause mild unspecific central nervous system symptoms. No evidence of delayed contact hypersensitivity, phototoxicity, or photoallergy due to amyl acetate or IAA was observed in human repeat insult patch test studies. It is concluded that amyl acetate and isoamyl acetate are safe as presently used in cosmetic products. ANIMAL STUDIES: Several drops of liquid amyl acetate squirted on eyes of rabbits & washed off with water 2 min later caused temporary corneal epithelial injury, but recovery was complete in a day or two. Isoamyl acetate given to dogs at 5000 ppm (27 mg/L) for 1 hr caused nasal irritation & drowsiness. Irritation, weakness, and loss of weight was observed in cats exposed to a concentration of 1900 ppm (10 mg/L) for 8 hours for 6 days; 4000 ppm (21 mg/L) for 20 min irritated the eyes and nose; and light CNS depression & delayed death were observed in cats exposed to 7200 ppm (38 mg/L) for 24 hr. IAA is not genotoxic, it tested non-mutagenic in a series of mutagenic assays.
Signs and Symptoms
Sore throat. Cough. Headache. Weakness. Drowsiness.
Dry skin.
Redness. Pain.
Sore throat. Nausea. Abdominal pain. Further see Inhalation.
irritation eyes, skin, nose, throat; dermatitis; In Animals: narcosis
Ongoing Test Status
EPA has released the first beta version (version 0.5) of the Interactive Chemical Safety for Sustainability (iCSS) Dashboard. The beta version of the iCSS Dashboard provides an interactive tool to explore rapid, automated (or in vitro high-throughput) chemical screening data generated by the Toxicity Forecaster (ToxCast) project and the federal Toxicity Testing in the 21st century (Tox21) collaboration. /The title compound was tested by ToxCast and/or Tox21 assays; Click on the "Chemical Explorer" button on the tool bar to see the data./[USEPA; ICSS Dashboard Application; Available from, as of April 22, 2015: http://actor.epa.gov/dashboard/]
Medical Surveillance
Initial Medical Screening: Employees should be screened for history of /chronic respiratory, skin, kidney, or liver diseases/ which might place the employee at increased risk from isoamyl acetate exposure. Periodic Medical Examination: Any employee developing the above-listed conditions should be referred for further medical examination.
Soil Adsorption/Mobility
The Koc of isoamyl acetate is estimated as 130(SRC), using a log Kow of 2.25(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that isoamyl is expected to have high mobility in soil.
法規制情報
FDA Requirements
Isoamyl acetate is a food additive permitted for direct addition to food for human consumption as a synthetic flavoring substance and adjuvant in accordance with the following conditions: a) they are used in the minimum quantity required to produce their intended effect, and otherwise in accordance with all the principles of good manufacturing practice, and b) they consist of one or more of the following, used alone or in combination with flavoring substances and adjuvants generally recognized as safe in food, prior-sanctioned for such use, or regulated by an appropriate section in this part.
TSCA Requirements
Section 8(a) of TSCA requires manufacturers of this chemical substance to report preliminary assessment information concerned with production, exposure, and use to EPA as cited in the preamble in 51 FR 41329. Effective date: 1/26/94; Reporting date: 3/28/94.
Pursuant to section 8(d) of TSCA, EPA promulgated a model Health and Safety Data Reporting Rule. The section 8(d) model rule requires manufacturers, importers, and processors of listed chemical substances and mixtures to submit to EPA copies and lists of unpublished health and safety studies. Isoamyl acetate is included on this list. Effective date: 1/26/94; Sunset date: 6/30/98.
Atmospheric Standards
This action promulgates standards of performance for equipment leaks of Volatile Organic Compounds (VOC) in the Synthetic Organic Chemical Manufacturing Industry (SOCMI). The intended effect of these standards is to require all newly constructed, modified, and reconstructed SOCMI process units to use the best demonstrated system of continuous emission reduction for equipment leaks of VOC, considering costs, non air quality health and environmental impact and energy requirements. Isoamyl acetate is produced, as an intermediate or a final product, by process units covered under this subpart.
CERCLA Reportable Quantities
Persons in charge of vessels or facilities are required to notify the National Response Center (NRC) immediately, when there is a release of this designated hazardous substance, in an amount equal to or greater than its reportable quantity of 5000 lb or 2270 kg. The toll free number of the NRC is (800) 424-8802. The rule for determining when notification is required is stated in 40 CFR 302.4 (section IV.D.3.b).
Clean Water Act Requirements
Isoamyl acetate is designated as a hazardous substance under section 311(b)(2)(A) of the Federal Water Pollution Control Act and further regulated by the Clean Water Act Amendments of 1977 and 1978. These regulations apply to discharges of this substance. This designation includes any isomers and hydrates, as well as any solutions and mixtures containing this substance.
安全データ
- OEB
- A
- OEL
- TWA: 100 ppm (525 mg/m3)
- wgk
- 1
- IDLA
- 1,000 ppm
- tsca
- TSCA listed
- rtecs
- NS9800000
- ridadr
- UN 1104 3/PG 3
- 毒性
- LD50 orally in Rabbit: > 5000 mg/kg LD50 dermal Rat > 5000 mg/kg
- hs_code
- 29153900
- risk_code
- 10-66-36/37/38-R66-R10
- 化審法
- (2)-733
- 安衛法
- 有機則 第二種有機溶剤等
- 消防法
- 危-4-2-III
- hazard_code
- Xi
- safety_code
- 23-25-2-36/37/39-26-16-S25-S23-S2
- hazard_class
- 3
- packing_group
- III
- 自然発火温度
- 680 °F
- Hazard Classifications
- Flam. Liq. 3
- ストレージクラス
- 3 - Flammable liquids
- 有毒物質データの
- 123-92-2(Hazardous Substances Data)
化学と産業
薬理情報
用途と製造
Uses
CIR ingredient: Isoamyl Acetate
Used as an additive to aerosols and cosmetics and to fit-test respirators; [ACGIH]
In alcohol solutions as a pear flavor in mineral waters and syrups; as solvent for old oil colors, for tannins, nitrocellulose, lacquers, celluloid and camphor; swelling bath sponges; covering unpleasant odors, perfuming shoe polish; manufacturing artificial silk, leather, or pearls, photographic films, celluloid cements, waterproof varnishes, bronzing liquids, and metallic paints; dying and finishing textiles. A special grade of the amyl acetate has been used for burning in the Hefner lamp serving as a photometric standard.
Industrial uses of amyl acetate include the following: ... as a warning odor; in the manufacture of ... artificial glass, and straw hats.
Flavoring, perfumes, solvent for nitrocellulose, masking undesirable odors.
In the manufacture of acetic acid by direct oxidation of a petroleum-based feedstock, solvent extraction has been used to separate acetic acid from the aqueous reaction liquor containing significant quantities of formic and propionic acids. Isoamyl acetate is used as solvent to extract nearly all the acetic acid, and some water, from the aqueous feed. The extract is then dehydrated by azeotropic distillation using isoamyl acetate as water entrainer.
U.S. Exports
(1972) NEGLIGIBLE
(1975) NEGLIGIBLE
U.S. Production
2023: 8,500,000 - <10,000,000 lb
(1972) PROBABLY GREATER THAN 4.54X10+5 GRAMS
(1975) PROBABLY GREATER THAN 4.54X10+5 GRAMS
(1984) 5.08X10+7 GRAMS
Production volume for non-confidential chemicals reported under the 2006 Inventory Update Rule. Chemical: 1-Butanol, 3-methyl-, 1-acetate. Aggregated National Production Volume: < 500,000 pounds.
Non-confidential 2012 Chemical Data Reporting (CDR) information on the production and use of chemicals manufactured or imported into the United States. Chemical: 1-Butanol, 3-methyl-, 1-acetate. National Production Volume: 100,000 - 500,000 lb/yr.
Methods of Manufacturing
Usually prepared by esterification of commercial isoamyl alcohol with acetic acid.
Rectification of commercial amyl acetate.
Use Classification
Fragrance Ingredients
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENTFood Additives -> CARRIER_SOLVENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENTFood Additives -> CARRIER_SOLVENT -> JECFA Functional Classes
Cosmetics -> Solvent
General Manufacturing Information
Soap, Cleaning Compound, and Toilet Preparation Manufacturing
1-Butanol, 3-methyl-, 1-acetate: ACTIVE
The technical product is also known as pear oil or banana oil.
In commercial practice, amyl invariably means isoamyl.
応用分野
解説酢酸イソアミル (英: Isoamyl acetate) とは、カルボン酸エステルに分類され、化学式C7H14O2で表される有機化合物の1種です。 IUPAC命名法による名称は酢酸3-メチルブチルであり、その他の別名に酢酸イソペンチルという名称があります。CAS登録番号は123-92-2です。カルボン酸エステル特有の果実臭を特徴として、特にバナナエッセンスなどの香料に用いられています。
用途香味料、香料、溶剤
説明In commercial practice amyl invariably means isoamyl, unless it is prefaced by the n- for normal. Isoamyl acetate has a powerful, fruity odor with a bittersweet taste reminiscent of pear. If impure, the odor is strong, penetrating, and almost shocking. Usually prepared by esterification of commercial isoamyl alcohol with acetic acid.
天然物の起源Reported to be found in a number of naturally occurring products, including apple, banana, cocoa bean, coffee, cognac, grape, peach, pear, pineapple and strawberry
使用Isoamyl acetate is used to impart pear flavorto mineral waters and syrups, in perfumes, inthe manufacture of artificial silk or leather, inphotographic films, in dyeing textiles, and asa solvent.
一般的な説明Oily liquid; colorless; banana odor. Floats and mixes with water. Flammable, irritating vapor is produced .
使用用途酢酸イソアミルの主な使用用途は、 香味料、香料、有機溶媒、溶剤です。 1. 香料 酢酸イソアミルは、バナナの香りの主成分であり、非常にフルーティーな香りの液体です。香料としては、バナナのフレーバー他、食品用の香料として使用されています。 また、日本酒の吟醸香の香気成分の1つでもあり、吟醸酒系の酒類が放つフルーティーな香りは酢酸イソアミル由来の香りです。 2. 溶剤・抽出剤 香料以外の用途では、酢酸イソアミルは、ニトロセルロース、エチルセルロース、樹脂の溶剤としてや塗料溶剤、印刷溶剤、シンナー、鉄・等の抽出剤などにも使用されています。
調製方法
製造方法By the esterification of commercial isoamyl alcohol with acetic acid
The commerical-grade isoamyl acetate is prepared by the esterification of amyl alcohol (often fusel oil) with acetic acid and a small amount of sulfuric acid as the catalyst .
純化方法Dry the acetate with finely divided K2CO3 and fractionally distil it. [Beilstein 2 IV 157.]
上流・下流製品情報
上流原料
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補足説明
定義本品は、酢酸(*)とイソアミルアルコールのエステルであり、次の化学式で表される。参照表示名称:酢酸
定義ChEBI: The acetate ester of isoamylol.
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