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2-ヘプタノン

2-Heptanone

HCID 8051
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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
110-43-0
標準SMILES
CCCCCC(C)=O
InChIKey
CATSNJVOTSVZJV-UHFFFAOYSA-N
分子式
C7H14O
平均分子量
114.19 g/mol
単同位体質量
114.10446507

概要

N-amyl methyl ketone appears as a clear colorless liquid. Flash point 126 °F. Less dense than water and only slightly soluble in water. Hence floats on water. Vapors heavier than air. Density 6.8 lb / gal. Used as a synthetic flavoring and in perfumes.

名称と識別子

優先名称
2-Heptanone
IUPAC
heptan-2-one
現地名
2-ヘプタノン
英語名
2-Heptanone
分子式
C7H14O
分子量
114.19

名称と別名

2-HEPTANONEHeptan-2-one110-43-0Methyl pentyl ketoneButylacetoneAmyl methyl ketoneMethyl amyl ketoneMethyl n-amyl ketonen-Amyl methyl ketonen-Pentyl methyl ketonePentyl methyl ketoneMethyl n-pentyl ketone
名称をさらに表示
2-ヘプタノンアミルメチルケトンヘプタン-2-オンn-アミルメチルケトンメチルアミルケトンペンチルメチルケトンメチルn-ペンチルケトンアミル(メチル)ケトンメチルn-アミルケトンメチルペンチルケトンメチル-n-アミルケトン2ヘプタノンn-アミルメチルケトン(2-ヘプタノン)メチル-ノルマル-ペンチルケトン2‐ヘプタノンメチル N-アミルケトンヘプタノン, 2-3-ヘプタノン 溶液メチル-ノルマル-ペンチルケトン【2-ヘプタノン】MAKHeptanone2-Heptanon2-HeptanalHeptan-2-on2-Ketoheptane2-Heptanone, pure, 98%
Ketone, methyl pentylAmyl-methyl-cetoneMethyl-amyl-cetoneKetone C-7Methyl-n-amylketoneFEMA No. 2544FEMA Number 2544DTXSID5021916

データベース識別子

CAS
110-43-0
PubChem CID
8051
DTXSID
DTXSID5021916
ChEMBL
CHEMBL18893
ChEBI
CHEBI:5672
UNII
89VVP1B008
EC Number
203-767-1
Nikkaji
J5.091A

物性

構造計算による物性補完中

XLogP
2
極性表面積
17.1 Ų
水素結合供与体数
0
水素結合受容体数
1
回転可能結合数
4
重原子数
8
形式電荷
0
複雑度
66.8

実験および物理化学的性質

Chemical ClassesFlammable agents - 2nd degree
LipidsFatty Acyls [FA] -> Oxygenated hydrocarbons [FA12]
SolventsSolvents -> Ketones (<C12)
SpringerMaterials PropertiesBoiling point
FragrancesFragrance Ingredient (2-Heptanone) -> IFRA transparency List
LogP · 3 件

log Kow = 1.98

1.98

2.08

Odor · 3 件

Penetrating fruity odor

CHARACTERISTIC BANANA, SLIGHTLY SPICY ODOR

Banana-like fruity odor

TastePEAR-LIKE FLAVOR
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density · 6 件

0.82 (USCG, 1999) - Less dense than water; will float

0.8324 at 0 °C/4 °C; 0.8197 at 15 °C/4 °C; 0.8068 at 30 °C/4 °C

Bulk density = 6.8 lb/gal

Relative density (water = 1): 0.8

0.814-0.819

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

Warning

H226: Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P317, P303+P361+P353, P304+P340, P317, P330, 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% (2 of 3241) of reports.

Warning

H226 (> 99.9%): Flammable liquid and vapor [Warning Flammable liquids]

危険有害性情報

Regulatory Information · 6 件

Chemical: 2-Heptanone

Regulation (EC) No 1831/2003 (amended)

2-Heptanone is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Heptanone 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: 06-07-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/10230

2-Heptanone: HSNO Approval: HSR001084 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 - 2-Heptanone: Human health tier I assessment
DOT LabelFlammable Liquid
Fire Hazards · 4 件

Special Hazards of Combustion Products: Irritating vapors and toxic gases, such as carbon dioxide and carbon monoxide, may be formed when involved in fire.

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

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

Flammable. Above 48 °C explosive vapour/air mixtures may be formed.

化学と産業

薬理情報

Metabolism/Metabolites · 4 件

MnAK undergoes carbonyl reduction to a secondary alcohol and omega-1 oxidation to a hydroxyketone, which is further oxidized to 2,6-heptanedione.

When 950 mg methyl amyl ketone/kg body weight was administered orally to rabbits, 40% was excreted as heptyl-2-glucuronide, and traces of the unchanged ketone were also found in the urine. 2-Heptanone ... was identified ... among ... 300 compounds present in the volatile constituents of urine from male and female subjects.

A subchronic inhalation study was conducted in which male rats and monkeys were exposed to 0, 131, or 1025 ppm methyl n-amyl ketone for 10 mo (6 hr/day, 5 days/wk). Methyl n-amyl ketone and methyl n-amyl alcohol were detected in the urine and serum of monkeys exposed to methyl n-amyl ketone.

/It was/ reported that 41% of an orally administered dose of 0.95g/kg /methyl n-amyl ketone/ in rabbits was excreted as 2-heptyl glucuronide ...Inhibition of P450 2EL increases the amount of MnAK exhaled.

Absorption, Distribution and Excretion · 2 件

Results of tissue distribution studies of (14)C methyl n-amyl ketone in rats comparing ip and inhalation routes of exposure were similar. Liver tissue had the highest level of radioactivity regardless of the route of admin; however, no liver pathology was observed. Urinary excretion accounted for 25% of the admin dose after 12 hr.

/It was/ reported that 41% of an orally administered dose of 0.95g/kg /methyl n-amyl ketone/ in rabbits was excreted as 2-heptyl glucuronide ...Inhibition of P450 2EL increases the amount of MnAK exhaled.

Cellular LocationsMembrane

用途と製造

Uses · 6 件

Used as a solvent for resins and lacquers, a fragrance for cosmetics, and a flavor for foods; [HSDB]

Painting (Solvents) [Category: Paint]

Industrial solvent; solvent for synthetic resin finishes; fragrance ingredient in creams, lotions, perfumes, soaps & detergents; flavor ingredient in foods; inert reaction medium

Solvent for nitrocellulose lacquers.

関連反応

51 件
反応記録を作成
HRID 159695 の反応式
HRID 159695反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 196091 の反応式
HRID 196091反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 267655 の反応式
HRID 267655反応物としてuspto-grants-1976_03
HRID 274595 の反応式
HRID 274595反応物としてuspto-grants-1995_02
HRID 329954 の反応式
HRID 329954反応物としてuspto-grants-1990_01
HRID 359145 の反応式
HRID 359145反応物としてuspto-grants-1991_03
HRID 361267 の反応式
HRID 361267反応物としてuspto-grants-1999_02
HRID 424321 の反応式
HRID 424321反応物としてuspto-grants-2012_01
1 / 7 ページ

化合物ノート

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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
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0.81

Flavoring AgentsEU Flavoring substances
Viscosity0.77 cP

物理化学的性質

融点
-35 °C · -35 °C (lit.)
沸点
149 · 149-150 °C (lit.)
比重(密度)
0.82 g/mL · 0.82 g/mL at 25 °C (lit.)
蒸気密度
3.94 · 3.94 (vs air)
蒸気圧
2.14 mm · 2.14 mm Hg ( 20 °C)
屈折率
20 · n20/D 1.408(lit.)
FEMA
2544 · 2544 | 2-HEPTANONE
闪点
106 °F · 106 °F
貯蔵温度
30 °C · Store below +30°C.
溶解性
4.21 g/L · 水: 可溶4.21 g/L at 20°C
外見
液体
色
無色透明
臭い (Odor)
10 %。フルーティー · ジプロピレングリコール中10.00%。フルーティー スパイシー スウィート ハーバル ココナッツ ウッディ
においのタイプ
俗っぽいです
由来生物
synthetic
臭気閾値(Odor Threshold)
0.0068 ppm · 0.0068ppm
爆発限界(explosive limit)
1.11 · 1.11-7.9%(V)
水溶解度
4.3 g/L · 4.3g/L(20℃)
比熱容量
2.04 J/ · Cp(liquid): 2.04 J/(g·K), at 25℃
JECFA Number
283 · 283
Merck
14 · 14,4663
BRN
1699063 · 1699063
Henry's Law Constant
3.59 at · 3.59 at 37 °C (static headspace-GC, Bylaite et al., 2004)
Dielectric constant
12.9 · 12.9(22℃)
安定性
安定。可燃性。強力な酸化剤、強力な還元剤、強塩基とは相容れない。
主な用途
フレーバーそして香料
化粧品成分の機能
香料
InChI
1S/C7H14O/c1-3-4-5-6-7(2)8/h3-6H2,1-2H3
InChIKey
CATSNJVOTSVZJV-UHFFFAOYSA-N
SMILES
CCCCCC(C)=O
LogP
2.26 at · 2.26 at 30℃
CAS データベース
110 · 110-43-0(CAS DataBase Reference)
NISTの化学物質情報
2 · 2-Heptanone(110-43-0)
EPAの化学物質情報
2 · 2-Heptanone (110-43-0)

化学的性質

化学的特性2-Heptanone is a clear colorless liquid with a fruity, spicy, cinnamon, banana, slightly spicy odor. The ketone 2-heptanone is a polar molecular compound with dipole-dipole attractions between the molecules.

Fire Potential
A flammable liquid when exposed to heat or flame ...
Health Hazards · 3 件

Inhalation can cause headache, fatigue, nausea, vomiting, dizziness, stupor, drowsiness, disturbed vision, and unconsciousness. Skin contact can cause moderate irritation, defatting, and dermatitis. Ingestion may cause irritation of lips and mouth, gastro-intestinal irritation, nausea, diarrhea, drowsiness, loss of consciousness, weak and rapid pulse, cold-pale complexion. (USCG, 1999)

· Inhalation or contact with material may irritate or burn skin and eyes.

· Inhalation or contact with material may irritate or burn skin and eyes.

Hazards SummaryA potential CNS depressant after inhalation; [CAMEO]
DOT ID and Guide · 3 件

1110 127

1110 127

1110 127

FDA Requirements · 1 件

2-Heptanone 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. Synthetic flavoring substances and adjuvants /incl 2-Heptanone/ may be safely used in foods.

Reactive GroupKetones
EC ClassificationSymbol: Xn; R: 10-20/22; S: (2)-24/25
UN ClassificationUN Hazard Class: 3; UN Pack Group: III

安全と保護具

Fire Fighting · 2 件

Excerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:

Use AFFF, alcohol-resistant foam, 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 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.

Accidental Release Measures · 4 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.

· 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 · 4 件

Excerpt from NIOSH Pocket Guide for Methyl (n-amyl) ketone:

General First Aid:

General First Aid:

(General first aid procedures)

Safe StorageFireproof.
Exposure Control and Personal Protection · 2 件

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

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

Fire Fighting ProceduresTo fight fire, use foam, carbon dioxide, dry chemical.
Nonfire Spill ResponseExcerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:
Disposal Methods · 1 件

SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure 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, aquatic, and plant life; and conformance with environmental and public health regulations.

Spillage Disposal · 1 件

Personal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. Ventilation. Collect leaking and spilled liquid in sealable metal containers as far as possible. Absorb remaining liquid in dry sand or inert absorbent. Then store and dispose of according to local regulations. Do NOT wash away into sewer.

Preventive Measures · 5 件

The basic ventilation methods are local exhaust ventilation and dilution or general ventilation.

SRP: Local exhaust ventilation should be applied wherever there is an incidence of point source emissions or dispersion of regulated contaminants in the work area. Ventilation control of the contaminant as close to its point of generation is both the most economical and safest method to minimize personnel exposure to airborne contaminants.

SRP: The scientific literature for the use of contact lenses in industry is conflicting. The benefit 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.

The worker should immediately wash the skin when it becomes contaminated.

Work clothing that becomes wet or significantly contaminated should be removed and replaced.

Isolation and Evacuation · 3 件

Excerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:

Immediate precautionary measure

Immediate precautionary measure

毒性情報

Body Burden2-Heptanone was found in 36 of 46 samples analyzed for the National Human Adipose Tissue Survey, FY 1982(1).
Interactions · 3 件

Chloroform-induced liver injury was evaluated in male rats pretreated (15 mmol/kg, orally) with 2-heptanone. After 18 hr, a challenging dose of chloroform (0.50 or 0.75 ml/kg ip) was given. Liver damage was evaluated 24 hr after chloroform admin by determining elevations in plasma glutamic-pyruvic transaminase and ornithine carbamyl transferase activity. 2-Heptanone potentiated chloroform-induced liver damage.

When methyl n-amyl ketone (456 mg/kg) was administered with equimolar doses of MnBK (methyl n-butyl ketone) by subcutaneous injection 5 days/week for 20 week, the neurotoxicity of MnBK, as measured by motor fiber conduction velocity and motor distal latency, was enhanced (p<0.01) ...

Chloroform (CHCl3)-induced hepato- and nephrotoxicity was evaluated in male, Fischer 344 rats pretreated with various dosages (1.0 to 15.0 mmol/kg, /orally/) of acetone (Ac), 2-butanone (Bu), 2-pentanone (Pn), 2-hexanone (Hx), or 2-heptanone (Hp). The CHCl3 challenge dosage (0.5 ml/kg, ip) produced slight centrilobular hydropic degeneration and patchy degeneration and necrosis in the proximal tubules of corn oil-pretreated rats. Each of the ketones studied produced a dose-related potentiation of CHCl3 liver and kidney injury. CHCl3 produced extensive tubular and centrilobular necrosis when administered to ketone-pretreated rats. The relationship between ketone dosage and the magnitude of the potentiated response was nonlinear. Maximum potentiation of CHCl3 toxicity occurred in the dosage range of 5.0 to 10.0 mmol ketone/kg. Ketone dosages greater than 10.0 mmol/kg were associated with a reduction in the degree of CHCl3 injury. At the lowest ketone dosage (1.0 mmol/kg), potentiating capacity appeared to be related to ketone carbon skeleton length. No differences in potentiating capacity were discernable between the ketones at dosages of 5.0 to 10.0 mmol/kg.

Target OrgansEyes, skin, respiratory system, central nervous system, peripheral nervous system
Ecotoxicity Values · 1 件

LC50 Pimephales promelas (Fathead minnow) 131 mg/L/96 hr (confidence limit 126-137 mg/L), flow-through bioassay with measured concentrations, 24.2 °C, dissolved oxygen 7.2 mg/L, hardness 46.4 mg/L calcium carbonate, alkalinity 42.1 mg/L calcium carbonate, and pH 7.72.

Environmental Fate · 3 件

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 280(SRC), determined from a log Kow of 1.98(2) and a regression-derived equation(3), indicates that 2-heptanone is expected to have moderate mobility in soil(SRC). Volatilization of 2-heptanone from moist soil surfaces is expected to be an important fate process(SRC) given a Henry's Law constant of 1.69X10-4 atm-cu m/mole(4). 2-Heptanone is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 3.85 mm Hg(5). Screening studies indicate that 2-heptanone is likely to biodegrade in aquatic systems under aerobic conditions(6-9).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 280(SRC), determined from a log Kow of 1.98(2) and a regression-derived equation(3), indicates that 2-heptanone 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 1.69X10-4 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 4.8 hours and 6 days, respectively(SRC). According to a classification scheme(5), an estimated BCF of 7(SRC), from its log Kow(2) and a regression-derived equation(6), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Screening studies indicate that 2-heptanone is likely to biodegrade in aquatic systems under aerobic conditions(7-10).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), 2-heptanone, which has a vapor pressure of 3.85 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase 2-heptanone 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 1.4 days(SRC), calculated from its rate constant of 1.17X10-11 cu cm/molecule-sec at 25 °C(3). Although 2-heptanone has the potential of being removed from the atmosphere by direct photochemical degradation(4), the rate of this process is not expected to be able to compete with atmospheric removal by the reaction with hydroxyl radicals(SRC).

Food Survey Values · 1 件

2-Heptanone was detected as a volatile flavor component of roasted filberts(1), baked potatoes(2), blue cheese(3), Beaufort (Gruyere) cheese(4), fried bacon(5), clove essential oil(6), chickpeas(7), fried chicken(8), earth almonds (Cyperus esculentus L.)(14), frankfurters(15), raw beef(17), and in food products processed from the Cassava root(9). 2-Heptanone has been identified in swiss cheese (0.45 ppm) evaporated milk, butter, milk, cream (0.004-0.007 ppm), milk fat (16 ppm), white bread, soybeans (1 ppm) peaches and orange juice(10). 2-Heptanone has been measured in canned cream corn (6 ppb), canned corn (21 ppb), frozen corn (3 ppb) and fresh corn (18 ppb)(11). 2-Heptanone was found in popcorn using wet extraction method at 60 ug/kg and dry extraction method at 17 ug/kg(12). Commercial rice cakes were found to contain 15 ppb of 2-heptanone(13). Fermented soybean (Glycine max) curds were found to contain 601.7 to 972.6 ug/kg of 2-heptanone(16). 2-Heptanone was found in uncured beef (0.21 mg/kg), chicken (0.54 mg/kg) and pork (0.20 mg/kg)(18). 2-Heptanone was detected in whole and ground musty sorghum with direct helium-purge method and with supercritical fluid extraction method(19). 2-Heptanone was isolated as a volatile component of duck meat (5.68 ppb), duck fat (11.62 ppb), Cantonese style roasted duck (38.44 ppb) and Cantonese style roasted duck gravy (63.45 ppb)(20). 2-Heptanone was measured at 146 ng/g, 455 ng/g, 115 ng/g and 42 ng/g in anchovy paste, big eyed herring paste, hair tail viscera paste and shrimp paste, respectively(21).

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 Concentrations2-Heptanone was detected, not quantified in store bought milk in Australia(1).
Toxicity Summary · 1 件

The existing information was reviewed by the independent Expert Panel for Fragrance Safety and supports the use of 2-Heptanone as described in this fragrance ingredient safety assessment. Data show that it is not genotoxic and provide a calculated Margin of Exposure (MOE) greater than 100 for the repeated dose toxicity and reproductive toxicity endpoints. Data show that there are no safety concerns for skin sensitization under the current declared levels of use. 2-Heptanone is not expected to be photoirritating/photoallergenic based on evaluation of the ultraviolet/visible (UV/Vis) spectra. The local respiratory toxicity endpoint was evaluated using the read-across analog 4-methyl-2-pentanone, with a calculated MOE greater than 100.

Plant Concentrations2-Heptanone is a natural product and is a component of foods(1), oil of cloves and cinnamon-bark oil(2) and identified as a volatile constituent of Kiwi fruit flowers(3).
Signs and Symptoms · 4 件

Cough. Dizziness. Headache. Unconsciousness. Blurred vision.

Dry skin. Redness.

Redness.

irritation eyes, skin, mucous membrane; headache; narcosis, coma; dermatitis

法規制情報

FDA Requirements · 1 件

2-Heptanone 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. Synthetic flavoring substances and adjuvants /incl 2-Heptanone/ may be safely used in foods.

FIFRA Requirements · 2 件

Residues of 2-heptanone are exempted from the requirement of a tolerance when used as a solvent, co-solvent in accordance with good agricultural practice as inert (or occasionally active) ingredients in pesticide formulations applied to growing crops or to raw agricultural commodities after harvest.

Residues of 2-heptanone are exempted from the requirement of a tolerance when used as a solvent, co-solvent in accordance with good agricultural practice as inert (or occasionally active) ingredients in pesticide formulations applied to animals.

安全データ

OEB
A
OEL
TWA: 100 ppm (465 mg/m3)
wgk
2
IDLA
800 ppm
tsca
TSCA listed
rtecs
MJ5250000
ridadr
UN 1110
毒性
LD50 orally in Rabbit: 1670 mg/kg LD50 dermal Rabbit 10332 mg/kg
hs_code
29141990
risk_code
22-38-40-48/20/22-20/22-10
化審法
(2)-542
安衛法
57,57-2
消防法
危-4-2-III
hazard_code
Xn
safety_code
36-24/25
hazard_class
3
packing_group
III
自然発火温度
739 °F
Hazard Classifications
Acute Tox. 4 InhalationAcute Tox. 4 OralFlam. Liq. 3STOT SE 3
ストレージクラス
3 - Flammable liquids
有毒物質データの
110-43-0(Hazardous Substances Data)

Blue cheese flavor

In perfumery as constituent of artificial carnation oils; as industrial solvent

U.S. Production · 6 件

2023: 100,000,000 - <250,000,000 lb

This chemical is listed as a High Production Volume (HPV) (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).

(1972) GREATER THAN 4.54X10+5 G

(1975) GREATER THAN 4.54X10+5 G

(1986) >10 million-50 million pounds

For more U.S. Production (Complete) data for 2-HEPTANONE (8 total), please visit the HSDB record page.

Consumer UsesSolvent
Industry UsesSolvent
Methods of Manufacturing · 2 件

Produced industrially by reductive condensation of acetone with butyraldehyde in one or two steps.

Prepd by the ketone decomposition of ethyl butylacetoacetate; by hydration of 1-heptyne and 2-heptyne

Formulations/PreparationsGRADE: Technical
Household ProductsInformation on 15 consumer products that contain Methyl n-amyl ketone in the following categories is provided:
Use Classification · 4 件

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing Information · 3 件

Furniture and Related Product Manufacturing

2-Heptanone: ACTIVE

Reported uses: in non-alcoholic beverages at 2.7 ppm; ice cream, ices, etc 6.0 ppm; candy 6.4 ppm; baked goods 13 ppm; & condiments 10-25 ppm.

応用分野 · 5 件

用途香料中に微量使用。変調剤として使用リンゴ、バナナ、モモ、パイナップル、イチゴなどのフレーバー、溶剤、ニトロセルロースラッカー用溶剤、合成着色料

説明2-Heptanone has a characteristic banana, slightly spicy odor. It may be prepared by oxidation of methyl n-amyl carbinol; also from n-amyl propionic acid or from ethyl butyl acetat.

天然物の起源Reported found in clove essential oil, Ceylon cinnamon and rancid coconut oil; also identifed in Ruta Montana Also reported found in banana, lingonberry, loganberry, black currant, guava, grapes, papaya, peach, pear, raspberry, other berries, strawberry jam, asparagus, roasted onion, leek, baked potato, mushroom, clove bud, ginger, blue, cheddar and Swiss cheeses, milk, cream, butter, fsh, meats, hop oil, beer, brandy, rum, malt whiskey, grape wines, cocoa, coffee, tea, peanuts, pecans, walnut, oats, soybeans, coconut oil, olive, passion fruit, mango, fgs, rice, sweet corn, corn tortillas, malt, caviar, shrimp, oysters, crab, crayfsh and mate

使用2-Heptanone is used as an industrial solvent; a solvent for synthetic resin finishes; an inert reaction medium; a flavor ingredient in foods; a fragrance ingredient in creams, lotions, perfumes, soaps, and detergents.

一般的な説明A clear colorless liquid. Flash point 126°F. Less dense than water and only slightly soluble in water. Hence floats on water. Vapors heavier than air. Density 6.8 lb / gal. Used as a synthetic flavoring and in perfumes.

調製方法

製造方法By oxidation of methyl n-amyl carbinol; also from n-amyl propionic acid or from ethyl butyl acetate.

上流・下流製品情報

上流原料

アセト酢酸エチルCalcium chloride solution 36-40%, (1box=27kgs)2-ヘプタノールSolid sodium hydroxide丁字油3-ヘプタノンヘプタン3-ヘプタノール4-ヘプタノール2-エチルヘキサナール2-Heptanone, 3-iodo-

下流製品

(2R)-2-アミノヘプタン2-ヘプタノール2-オクテン-1-アール4,4-ジメチルヘプタン2-メチル-2-ヘプタノール

補足説明

定義ChEBI: Heptan-2-one is a dialkyl ketone with methyl and pentyl as the alkyl groups. It has a role as a pheromone and a mouse metabolite. It is a dialkyl ketone and a methyl ketone.