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酢酸イソブチル

Isobutyl Acetate

HCID 8038
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基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
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基本情報

CAS
110-19-0
標準SMILES
CC(=O)OCC(C)C
InChIKey
GJRQTCIYDGXPES-UHFFFAOYSA-N
分子式
C6H12O2
平均分子量
116.16 g/mol
単同位体質量
116.08372962

概要

Isobutyl acetate appears as a clear colorless liquid with a fruity odor. Flash point 64 °F. Less dense than water (6.2 lb / gal) and insoluble in water. Vapors are heavier than air.

名称と識別子

優先名称
Isobutyl Acetate
IUPAC
2-methylpropyl acetate
現地名
酢酸イソブチル
英語名
Isobutyl acetate
分子式
C6H12O2
分子量
116.16

名称と別名

ISOBUTYL ACETATE110-19-02-Methylpropyl acetateIsobutyl ethanoate2-Methylpropyl ethanoateAcetic acid, 2-methylpropyl ester2-Methyl-1-propyl acetateAcetic acid, isobutyl esterAcetate d'isobutylebeta-Methylpropyl ethanoateIsobutylester kyseliny octoveFEMA No. 2175
名称をさらに表示
酢酸イソブチルイソブチルアセテ-ト酢酸ISO-ブチル酢酸2-メチルプロピルi-Butyl acetateFEMA 2175Citrate-d4ISOBUTYL ACETATE(SG)ACETIC ACID ISOBUTYL ESTER
FEMA Number 2175DTXSID50268377CR47FO6LFNSC-8035DTXCID906837CHEBI:50569Isobutyl ester of acetic acid2-Methylpropyl ester of acetic acid

データベース識別子

CAS
110-19-0
PubChem CID
8038
DTXSID
DTXSID5026837
ChEMBL
CHEMBL46999
ChEBI
CHEBI:50569
UNII
7CR47FO6LF
EC Number
203-745-1
Nikkaji
J1.972K

物性

構造計算による物性

XLogP
1.8
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
3
重原子数
8
形式電荷
0
複雑度
76.6

実験および物理化学的性質

Chemical Classes · 2 件

Flammable agents - 3rd degree

Volatile Organic Compound (VOC)

SolventsSolvents -> Esters (<C12)
Cosmetics · 2 件

Cosmetic ingredients (Isobutyl Acetate) -> CIR (Cosmetic Ingredient Review)

Solvent

pHNeutral
SpringerMaterials PropertiesBoiling point
FragrancesFragrance Ingredient (Isobutyl acetate) -> IFRA transparency List
LogP · 4 件

log Kow = 1.78

1.78

1.60

1.78

Odor · 4 件

Fruit-like odor

Fruity, floral odor

FRUITY (CURRANT-PEAR), FLORAL (HYACINTH-ROSE) ODOR

SOLVENTY NAIL POLISH-LIKE ODOR

Taste · 2 件

CHARACTERISTIC ETHER-LIKE, SLIGHTLY BITTER FLAVOR

BANANA TASTE

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food

安全と法規制

安全情報は参考情報です。供給元の安全データシート(SDS)、適用法令、専門家による評価に代わるものではありません。

GHS分類

GHS Classification · 6 件

Danger

H225: Highly Flammable liquid and vapor [Danger 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 6% (177 of 2941) of reports.

Danger

H225 (94%): Highly Flammable liquid and vapor [Danger Flammable liquids]

危険有害性情報

Regulatory Information · 6 件

Chemical: Acetic acid, 2-methylpropyl ester

Regulation (EC) No 178/2002 (amended)

Acetic acid, 2-methylpropyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Acetic acid, 2-methylpropyl ester 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)

REACH registered substance: Isobutyl acetate (EC: 203-745-1)

Acetic acid, 2-methylpropyl ester: HSNO Approval: HSR001092 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.)

Other Safety InformationIMAP assessments - Acetate esters (C2-C4): Human health tier II assessment
DOT LabelFlammable Liquid
Fire Hazards · 3 件

Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:

· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.

Highly flammable. Vapour/air mixtures are explosive.

Fire Potential · 2 件

A very dangerous fire and moderate explosion hazard when exposed to heat, flame, or oxidizers.

化学と産業

薬理情報

Metabolism/MetabolitesUpon absorption by the body it can hydrolyze to acetic acid and isobutanol.
Cellular LocationsCytoplasm

用途と製造

Uses · 6 件

CIR ingredient: Isobutyl Acetate

Solvent uses include nitrocellulose, thinners, sealants, lacquers, and perfumes; [Hawley]

Painting (Solvents) [Category: Paint]

Solvent for nitrocellulose; in thinners, sealants, and topcoat lacquers; perfumery; flavoring agent.

Used in fragrances

INGREDIENT OF SYNTHETIC FLAVOR USEFUL IN BANANA, RASPBERRY, STRAWBERRY, BUTTER.

U.S. Production · 6 件

2023: 10,000,000 - <50,000,000 lb

(1975) GREATER THAN 4.54X10+5 GRAMS

(1984) 3.8X10+10 g

Acetic acid, 2-methylpropyl ester is listed as a High Production Volume (HPV) chemical (65FR81686). Chemicals listed as HPV were produced in or imported into the U.S. in >1 million pounds in 1990 and/or 1994. The HPV list is based on the 1990 Inventory Update Rule. (IUR) (40 CFR part 710 subpart B; 51FR21438).

Production volumes for non-confidential chemicals reported under the Inventory Update Rule. [Table#1712]

For more U.S. Production (Complete) data for ISOBUTYL ACETATE (6 total), please visit the HSDB record page.

Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesSolvent
Methods of Manufacturing · 3 件

Preparation from isobutyl alcohol plus acetic acid

Tischenko reaction of acetaldehyde with isobutyraldehyde yields a mixture of isobutyl acetate with ethyl acetate and isobutyl isobutyrate

Treating isobutanol with acetic acid in the presence of catalysts.

Formulations/Preparations

関連反応

19 件
反応記録を作成
HRID 16674 の反応式
HRID 16674溶媒としてuspto-grants-2010_06
HRID 298241 の反応式
HRID 298241反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 305892 の反応式
HRID 305892反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 376500 の反応式
HRID 376500溶媒としてuspto-grants-2000_02
HRID 376501 の反応式
HRID 376501溶媒としてuspto-grants-2000_02
HRID 900063 の反応式
HRID 900063反応物としてuspto-grants-2008_04
HRID 1261404 の反応式
HRID 1261404溶媒としてuspto-grants-2013_06
HRID 1296838 の反応式
HRID 1296838溶媒としてuspto-grants-2007_07
1 / 3 ページ

化合物ノート

読み込み中…

このページの内容基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
その他の操作
ノートを作成反応を作成見積依頼を出す
Density · 6 件

0.871 at 68 °F (USCG, 1999) - Less dense than water; will float

0.8712 g/cu cm at 20 °C

Bulk density: 7.23 lb/gal

DENSITY OF SATURATED AIR: 1.08 (AIR = 1); CONVERSION FACTORS: 1 MG/L IS EQUIVALENT TO 211 PPM; 1 PPM IS EQUIVALENT TO 4.75 MG/CU M

Relative density (water = 1): 0.87

0.862-0.871

Flavoring AgentsEU Flavoring substances

物理化学的性質

融点
99 °C · −99 °C (−146 °F; 174 K)
沸点
118 °C · 118 °C (244 °F; 391 K)
比重(密度)
0.875 g/cm3, · 0.875 g/cm3, liquid
蒸気密度
4 · >4 (vs air)
蒸気圧
15 mm · 15 mm Hg ( 20 °C)
FEMA
2175 · 2175 | ISOBUTYL ACETATE
屈折率
1.39 · 1.39
闪点
18 °C; · 18 °C; 64 °F; 291 K
貯蔵温度
30 °C · Store below +30°C.
溶解性
20 ℃で可溶5.6g/L · 水:20℃で可溶5.6g/L
外見
liquid
色
Colourless
臭い (Odor)
低濃度で心地よいフルーティーな香り、高濃度で不快な香り、マイルドな特徴的なエステル、残留物なし。
PH
5 · 5 (4g/l, H2O, 20℃)
爆発限界(explosive limit)
2.4 · 2.4-10.5%(V)
においのタイプ
フルーティーな
臭気閾値(Odor Threshold)
0.008 ppm · 0.008ppm
由来生物
synthetic
水溶解度
7 g/L · 7g/L(20℃)
比熱容量
2.01 J/ · Cp(liquid): 2.01 J/(g·K), at 25℃
JECFA Number
137 · 137
Merck
14 · 14,5130
BRN
1741909 · 1741909
Henry's Law Constant
(x 10-4 atmm3/mol): 4.85 at 25 °C (approximate - calculated from water solubility and vapor pressure)
Dielectric constant
5.6 · 5.6(20℃)
主な用途
フレーバーそして香料
化粧品成分の機能
溶媒香料
InChI
1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3
InChIKey
GJRQTCIYDGXPES-UHFFFAOYSA-N
SMILES
CC(C)COC(C)=O
LogP
2.3 at · 2.3 at 25℃
表面張力
23.15 mN/m · 23.15mN/m at 298.15K
CAS データベース
110 · 110-19-0(CAS DataBase Reference)
NISTの化学物質情報
Isobutyl acetate(110-19-0)
EPAの化学物質情報
Isobutyl acetate (110-19-0)
化学的性質 · 1 件

化学的特性Isobutyl acetate is a colorless liquid with a fruit flavor. Isobutyl acetate is moisture sensitive, incompatible with ignition sources, moisture, excess heat, strong oxidizing agents, and strong bases; on decomposition, it releases carbon monoxide and carbon dioxide. It is used for nitrification fiber and paint solvents, chemical reagents, and modulation spices

Highly flammable liquid

Health Hazards · 2 件

Vapors may irritate upper respiratory tract and cause nausea, vomiting, dizziness and loss of consciousness. Liquid irritates eyes and may irritate skin. (USCG, 1999)

· May cause toxic effects if inhaled or absorbed through skin.

Hazards SummaryA skin, eye, and respiratory tract irritant; Inhalation of high concentrations can cause CNS depression; [ICSC]
DOT ID and Guide · 2 件

1213 129

1213 129

FDA Requirements · 1 件

Isobutyl acetate is a food additive permitted for direct addition to food for human consumption, as long as 1) the quantity added to food does not exceed the amount reasonably required to accomplish its intended physical, nutritive, or other technical effect in food, and 2) when intended for use in or on food it is of appropriate food grade and is prepared and handled as a food ingredient. Isobutyl acetate synthetic flavoring substances & adjuvants may be safely used in food in accordance with the following conditions ... They consist of one or more of the following /substances including isobutyl acetate/ used alone or in combination with flavoring substances generally recognized as safe in food, or regulated by an appropriate section in this part.

Reactive GroupEsters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters
EC ClassificationSymbol: F; R: 11-66; S: (2)-16-23-25-29-33; Note: C
UN ClassificationUN Hazard Class: 3; UN Pack Group: II

安全と保護具

Fire Fighting · 2 件

Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:

Use foam, alcohol-resistant foam, dry powder, carbon dioxide. In case of fire: keep drums, etc., cool by spraying with water.

First Aid Measures · 4 件

Fresh air, rest. Refer for medical attention.

Remove contaminated clothes. Rinse and then wash skin with water and soap.

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

Rinse mouth. Do NOT induce vomiting. Refer for medical attention .

Accidental Release Measures · 2 件

· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.

· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.

First Aid · 3 件

Excerpt from NIOSH Pocket Guide for Isobutyl acetate:

General First Aid:

(General first aid procedures)

Safe StorageFireproof. Separated from strong oxidants, strong bases and strong acids.
Firefighting Hazards · 2 件

Flashback along vapor trail may occur.

The vapors are heavier than air.

Exposure Control and Personal Protection · 2 件

· Wear positive pressure self-contained breathing apparatus (SCBA).

100.0 [ppm]

Fire Fighting Procedures · 4 件

To fight fire, use alcohol foam, CO2, dry chemical.

Water may be ineffective on fire /involving isobutyl acetate/. Cool exposed containers with water.

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 spread fire. Cool all affected containers with flooding quantities of water. Apply water from as far a distance as possible. Use foam, dry chemical, or carbon dioxide.

Fire Fighting: Use self-contained breathing apparatus with a full facepiece operated in pressure-demand or other positive pressure mode.

Storage Conditions · 1 件

... MATERIALS WHICH ARE TOXIC AS STORED OR WHICH CAN DECOMPOSE INTO TOXIC COMPONENTS ... SHOULD BE STORED IN A COOL WELL VENTILATED PLACE, OUT OF THE DIRECT RAYS OF THE SUN, AWAY FROM AREAS OF HIGH FIRE HAZARD, AND SHOULD BE PERIODICALLY INSPECTED. INCOMPATIBLE MATERIALS SHOULD BE ISOLATED ...

Cleanup Methods · 4 件

1. Remove all ignition sources. 2. Ventilate area of spill or leak. 3. For small quant, absorb on paper towels. Evaporate in a safe place (such as a fume hood). Allow sufficient time for evaporating vapors to completely clear the hood ductwork. Burn the paper in a suitable location away from combustible materials. Large quantities can be collected and atomized in a suitable combustion chamber. Isobutyl acetate should not be allowed to enter a confined space, such as a sewer, because of the possibility of an explosion.

Environmental considerations: Land spill: Dig a pit, pond, lagoon, holding area to contain liquid or solid material /SRP: If time permits, pits, ponds, lagoons, soak holes, or holding areas should be sealed with an impermeable flexible membrane liner./ Dike surface flow using soil, sand bags, foamed polyurethane, or foamed concrete. Absorb bulk liquid with fly ash or cement powder. Apply appropriate foam to diminish vapor and fire hazard.

Environmental considerations: Water spill: Use natural barriers or oil spill control booms to limit spill motion. Use surface active agent (eg detergent, soaps, alcohols), if approved by the EPA.. Inject "universal" gelling agent to solidify encircled spill and increase effectiveness of booms. If dissolved, in region of 10 ppm or greater concentration, apply activated carbon at ten times the spilled amount . Remove trapped material with suction hoses. Use mechanical dredges or lifts to remove immobilized masses of pollutants and precipitates.

Environmental considerations: Air spill: Apply water spray to mist to knock down vapors.

Nonfire Spill ResponseExcerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
Disposal Methods · 5 件

SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational harm/injury/toxicity or environmental contamination. 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 soil or water; effects on animal and plant life; and conformance with environmental and public health regulations.

Isobutyl acetate is a waste chemical stream constituent which may be subjected to ultimate disposal by controlled incineration.

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.

/Proposed methods of disposal should be used on statutory requirements of the state where disposal is to occur. The usual methods would be expected to include:/ 1) Absorbing in vermiculite, dry sand, earth or a similar material and disposing in a secured sanitary landfill. 2) Atomizing in a suitable combustion chamber.

The following wastewater treatment technologies have been investigated for Isobutyl acetate: Concentration process: Activated carbon.

毒性情報

Target OrgansEyes, skin, respiratory system, central nervous system
Ecotoxicity Values · 3 件

LC50; Species: Chlorococcales (Green Algae Order); Conditions: freshwater, static; Concentration: 600000 ug/L for 24 hr /formulation/

LC50; Species: Daphnia magna (Water Flea) age < or =24 hr; Conditions: freshwater, static, 20-22 °C; Concentration: 250000 ug/L for 24 hr /formulation/

TLm Brine shrimp 1200 ppm/24 hr /Conditions of bioassay not specified/

Environmental Fate · 3 件

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 16(SRC), determined from a structure estimation method(2), indicates that isobutyl acetate is expected to have very high mobility in soil(SRC). Volatilization of isobutyl acetate from moist soil surfaces is expected to be an important fate process(SRC) given a Henry's Law constant of 4.54X10-4 atm-cu m/mole(3). Isobutyl acetate is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 17.8 mm Hg at 25 °C(4). Biodegradation is expected to occur based upon theoretical BODs of 60% and 81% in 5- and 20-day, respectively, fresh water dilution tests(5).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 16(SRC), determined from a structure estimation method(2), indicates that isobutyl acetate is not expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(3) based upon a Henry's Law constant of 4.54X10-4 atm-cu m/mole(4). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 5.2 hours and 4.9 days, respectively(SRC). According to a classification scheme(5), an estimated BCF of 7(SRC), from its log Kow of 1.78(6) and a regression-derived equation(7), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Biodegradation is expected to occur based upon theoretical BODs of 60% and 81% in 5- and 20-day, respectively, fresh water dilution tests(8). Hydrolysis is expected to occur slowly based upon estimated hydrolysis half-lives of 3 years and 122 days at pH 7 and 8, respectively(9).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), isobutyl acetate, which has a vapor pressure of 17.8 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase isobutyl 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 2.9 days(SRC), calculated from its rate constant of 5.52X10-12 cu cm/molecule-sec at 25 °C(3). Isobutyl 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 ValuesIsobutyl acetate has been identified, not quantified, in apples(1), nectarines(2), store bought milk(3) and bananas(4).
Adverse EffectsNeurotoxin - Acute solvent syndrome
Exposure Routes · 2 件

The substance can be absorbed into the body by inhalation of its vapour.

inhalation, ingestion, skin and/or eye contact

Milk ConcentrationsIsobutyl acetate has been identified, not quantified, in store purchased milk(1).
Toxicity SummarySafe 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
Signs and Symptoms · 5 件

Cough. Sore throat. Dizziness. Headache.

Dry skin.

Redness.

Nausea.

irritation eyes, skin, upper respiratory system; headache, drowsiness, anesthesia; In Animals: narcosis

Effluent Concentrations · 1 件

Isobutyl acetate was detected at a mean concentration of 0.23 ug/cu m in the effluent of a waste incinerator in Germany(1). An accidental spill at the BASF plant in Germany released an unspecified concentration of isobutyl acetate into the Rhine River in 1991(2). Isobutyl acetate was identified, not quantified, in the effluent of common household waste(3). UK emissions of isobutyl acetate were reported as 0.44% by mass distribution in 1990(4). Isobutyl acetate was detected in 15 of 44 furniture emission samples(5). Isobutyl acetate was detected but not quantified in the emissions of kitchen waste, kitchen waste exudate and stored food exudate(6).

Medical SurveillanceConsider initial effects on skin and resp tract in any preplacement or periodical exam, as well as liver and kidney function.
Soil Adsorption/Mobility · 1 件

Using a structure estimation method based on molecular connectivity indices(1), the Koc of isobutyl acetate can be estimated to be 16(SRC). According to a classification scheme(2), this estimated Koc value suggests that isobutyl acetate is expected to have very high mobility in soil.

法規制情報

FDA Requirements · 1 件

Isobutyl acetate is a food additive permitted for direct addition to food for human consumption, as long as 1) the quantity added to food does not exceed the amount reasonably required to accomplish its intended physical, nutritive, or other technical effect in food, and 2) when intended for use in or on food it is of appropriate food grade and is prepared and handled as a food ingredient. Isobutyl acetate synthetic flavoring substances & adjuvants may be safely used in food in accordance with the following conditions ... They consist of one or more of the following /substances including isobutyl acetate/ used alone or in combination with flavoring substances generally recognized as safe in food, or regulated by an appropriate section in this part.

Atmospheric Standards · 1 件

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. Isobutyl acetate is produced, as an intermediate or final product, by process units covered under this subpart.

CERCLA Reportable Quantities · 1 件

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 · 1 件

Isobutyl 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: 150 ppm (700 mg/m3)
wgk
1
IDLA
1,300 ppm [10% LEL]
tsca
TSCA listed
rtecs
AI4025000
ridadr
UN 1213
毒性
LD50 orally in Rabbit: 13400 mg/kg LD50 dermal Rabbit > 17400 mg/kg
hs_code
2915 39 00
risk_code
11-66
化審法
(2)-731
安衛法
有機則 第二種有機溶剤等
消防法
危険物第4類第二石油類(非水溶性)
hazard_code
F
safety_code
16-23-25-29-33
hazard_class
3
packing_group
II
自然発火温度
793 °F
Hazard Classifications
Flam. Liq. 2STOT SE 3
ストレージクラス
3 - Flammable liquids
有毒物質データの
110-19-0(Hazardous Substances Data)
危険度評価(NFPA 704基準/消防庁データ)
人的[青]=0 火災[赤]=4
· 2 件

Grades: Technical; solvent; perfume; FCC /food chemicals codex/.

Grade or purity: 95-99+%

Household ProductsInformation on 40 consumer products that contain Isobutyl acetate in the following categories is provided:
Use Classification · 4 件

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Cosmetics -> Solvent

General Manufacturing Information · 3 件

All Other Basic Organic Chemical Manufacturing

Acetic acid, 2-methylpropyl ester: ACTIVE

In public use since the 1920s. Use in fragrances in the US amounts to approximately 5000 lb/yr

応用分野 · 8 件

解説酢酸イソブチル (英: Isobutyl acetate) とは、カルボン酸エステルに分類され、化学式C6H12O2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 2-メチルプロピルであり、その他の別名に、酢酸2-メチルプロピルエステル、ブチルエタノエートという名称があります。CAS登録番号は110-19-0です。 カルボン酸エステル特有の果実臭を特徴としており、バナナの香りの主成分であるとされています。

用途香料原料、塗料

用途農薬(殺菌剤)、農薬原料、医薬、防腐剤、化学繊維製造凝固剤、メッキ、蛍光隊原料、飼料添加物

説明Isobutyl acetate has a fruity (currant-pear), floral (hyacinth-rose) odor and a characteristic ether-like, slightly bitter flavor. May be prepared by direct esterification of isobutyl alcohol with acetic acid.

天然物の起源Reported found in, apple, apricot, banana, currants, guava, grapes, melon, pear, blackcurrant, papaya, pineapple, strawberry, vinegar, wheat bread, Parmesan and Gruyere cheese, beef fat, beer, cognac, rum, cider, whiskies, sherry, grape wines, port, olive, cocoa, passion fruit, plum, starfruit, bantu beer, plum and grape brandy, mango, tamarind, apple brandy, figs, plum wine, litchi, sake, nectarine, naranjilla fruit, Cape gooseberry and Roman chamomile oil.

使用Isobutyl Acetate is a flavoring agent that is a clear colorless liquid with a fruity odor resembling banana when diluted. it is soluble in alcohol, propylene glycol, most fixed oils, and mineral oil, and slightly soluble in water. it is obtained by synthesis.

一般的な説明A clear colorless liquid with a fruity odor. Flash point 64°F. Less dense than water (6.2 lb / gal) and insoluble in water. Vapors are heavier than air .

使用用途図2. 酢酸イソブチルとフェニル酢酸イソブチルの構造 酢酸イソブチルは、主に化学工業において、脱水剤、塗料 (・など) ・インキ用溶剤、、反応溶媒、抽出溶剤、化学繊維製造凝固剤、メッキ、蛍光体原料などの幅広い用途を持つ物質です。酢酸イソブチルは、エステル類特有の果実臭を持つため、香水や食品添加物としても用いられます。 なお、関連物質であるα位がフェニル基で置き換わったフェニル酢酸イソブチルは、バラの香りの香料として、食品衛生法で食品添加物に指定されている物質です。それ以外の酢酸イソブチルの用途としては、農薬 (殺菌剤) 、農薬原料、医薬、飼料添加物などの用途が挙げられます。

調製方法 · 2 件

製造方法By direct esterification of isobutyl alcohol with acetic acid.

Isobutyl acetate may be made from methyl isobutyl ketone. It may also be made by treating isobutanol with acetic acid in the presence of catalysts. The Tischenko reaction of acetaldehyde with isobutyraldehyde yields a mixture of isobutyl acetate with ethyl acetate and isobutyl isobutyrate.

上流・下流製品情報

上流原料

イソブチルアルコール(αS)-α-(アセチルアミノ)ベンゼンプロパン酸メチルL-フェニルアラニンメチル塩酸塩

下流製品

Nitrocellulose lacquer thinnerアセト酢酸イソブチルエタノール‐1,1‐D2

補足説明

定義本品は、酢酸(*)とイソブチ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 isobutanol.