Ethyl Propionate

HCID 7749CAS 105-37-3

基本情報

標準SMILES
CCOC(=O)CC
InChIKey
FKRCODPIKNYEAC-UHFFFAOYSA-N
分子式
C5H10O2
平均分子量
102.13 g/mol
単同位体質量
102.06807956

概要

Ethyl propionate appears as a clear colorless liquid with a pineapple-like odor. Flash point 54 °F. Less dense than water and insoluble in water. Vapors are heavier than air.

名称と識別子

優先名称
Ethyl Propionate
IUPAC
ethyl propanoate
現地名
プロピオン酸エチル
英語名
Ethyl propionate
分子式
C5H10O2
分子量
102.13

名称と別名

ETHYL PROPIONATEEthyl propanoate105-37-3Propanoic acid, ethyl esterPropionic etherPropionic esterPropionic acid, ethyl esterPropionate d'ethyleFEMA No. 2456Ethylester kyseliny propionoveDTXSID1040110AT9K8FY49U
名称をさらに表示
プロピオン酸エチルエチルプロピオナートエチル=プロピオナートプロパン酸エチルエチルプロピオネ-トプロピオン酸エチル標準品プロピオン酸エチル LBG-29964, LBG-29965プロピオン酸エチルエステルプロピオン酸エチルエステル標準品PROPANOIC ACID ETHYL ESTEREthyl n-propanoateFEMA 2456ETHYLPROPIONATC2H5COOC2H5propionicesterTRIANOIC ETHYL
NSC-8848DTXCID9020110CHEBI:41330RefChem:5815203-291-4EthylpropionatePropionic acid ethyl esterEthyl n-propionate

データベース識別子

CAS
105-37-3
PubChem CID
7749
DTXSID
DTXSID1040110
ChEMBL
CHEMBL44115
ChEBI
CHEBI:41330
UNII
AT9K8FY49U
EC Number
203-291-4
Nikkaji
J2.851G

物性

構造計算による物性

XLogP
1.2
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
3
重原子数
7

実験および物理化学的性質

Chemical ClassesFlammable agents - 3rd degree
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Short fatty esters [FA0710]
SolventsSolvents -> Esters (<C12)
SpringerMaterials PropertiesBoiling point
FragrancesFragrance Ingredient (Ethyl propionate) -> IFRA transparency List
LogP · 2 件

log Kow= 1.21

1.21

物理化学的性質

融点
-73 °C · -73 °C (lit.)
沸点
99 °C · 99 °C (lit.)
比重(密度)
0.888 g/mL · 0.888 g/mL at 25 °C (lit.)
蒸気密度
3.52 · 3.52 (vs air)
蒸気圧
40 mm · 40 mm Hg ( 27.2 °C)
屈折率
20 · n20/D 1.384(lit.)

化学的性質

化学的特性エチルプロピオネートは化学式C5H10O2を持つ有機化合物ですこの物質はエステルの一種でありプロピオン酸のエチルエステルとしても知られています特有のフルーティーな香りが特徴で食品添加物や香料として広く利用されています

化学的特性Ethyl Propionate is a clear colorless to pale yellow liquid that is found in many fruits and alcoholic beverages. It has a fruity odor reminiscent of rum and is used in flavor compositions for creating both fruity and rum notes.

安全と法規制

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)

Danger

H225 (> 99.9%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P319, P321, P332+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

危険有害性情報

Regulatory Information · 4 件

Chemical: Propanoic acid, ethyl ester

Status: Active Update: 25-04-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/23287

Propanoic acid, ethyl ester: HSNO Approval: HSR001254 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 - Propanoic acid, ethyl ester: Human health tier I assessment
DOT LabelFlammable Liquid
Fire Hazards · 2 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.

Fire PotentialA flammable liquid. A very dangerous fire and explosion hazard when exposed to heat or flame ...
Health Hazards · 2 件

Exposure can cause irritation of eyes, nose and throat. May cause shortness of breath or coughing. High concentrations have a narcotic effect. May cause abdominal pain and vomiting if swallowed. (USCG, 1999)

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

安全と保護具

Fire FightingExcerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
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 · 2 件

Get medical attention.

General First Aid:

Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).
Fire Fighting Procedures · 2 件

WATER MAY BE INEFFECTIVE.

To fight fire, use foam, carbon dioxide, dry chemical.

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

毒性情報

Body Burden · 1 件

Results from the National Human Adipose Tissue Survey (NHATS) show that ethyl propionate was identified, not quantified, in 29 total adipose tissue samples, occurring in 4 samples from age group 0-14 yrs, 12 samples in age group 15-44, and 13 samples in age group 45 and older(1). Eleven samples from the US North Central region were positive, as were 4 from the Northeast, 12 from the South, and 2 from the West(1).

Environmental Fate · 3 件

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 12(SRC), determined from a structure estimation method(2), indicates that ethyl propionate is expected to have very high mobility in soil(SRC). Volatilization of ethyl propionate from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 2.5X10-4 atm-cu m/mole(SRC), from its vapor pressure, 35.8 mm Hg(4), and water solubility, 1.92X10+4 mg/l(3). The potential for volatilization of ethyl propionate from dry soil surfaces may exist(SRC) based upon a vapor pressure of 35.8 mm Hg(4). Biodegradation in soil is expected to be an important environmental fate process because of the presence of an easily biodegraded ester functional group(5).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 12(SRC), determined from a structure estimation method(2), indicates that ethyl propionate is not expected to adsorb to suspended solids and sediment in water(SRC). Volatilization from water surfaces is expected(3) based upon an estimated Henry's Law constant of 2.5X10-4 atm-cu m/mole(SRC), from its vapor pressure, 35.8 mm Hg(4), and water solubility, 19,200 mg/l(7). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 6 hrs and 5 days, respectively(SRC). According to a classification scheme(5), an estimated BCF of 1.7(SRC), from its log Kow of 1.21(6) and a regression-derived equation(9), suggests the potential for bioconcentration in aquatic organisms is low. Biodegradation in water is expected to be an important environmental fate process because of the presence of an easily biodegraded ester functional group(8).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), ethyl propionate, which has a vapor pressure of 3.58X10+1 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase ethyl propionate 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 7 days(SRC), calculated from its rate constant of 2.14X10-12 cu cm/molecule-sec at 25 °C(3).

Food Survey Values · 1 件

Ethyl propionate was detected at 0.20, 0.19, and 0.13 mg/100 ml in unprocessed, reverse osmosis processed, and water diluted whiskeys, respectively(1). The compound was also detected, not quantified, in headspace analyses of Sivetta variety strawberry samples held in a closed system(2). Ethyl propionate was one of the 27 volatile components identified, at a relative amount of 0.4%, in ripe Kiwi fruit from New Zealand and Australia(3). It is a volatile component of fresh grape fruit juice 0.0068 ppm(4), guava - 57.4 and 84.5 ug/kg in mature and overripe fruit, respectively(5). The compound was also identified as one of the 46 volatile components of both hand and mechanically extracted fresh orange juice from five different cultivars at a concn range of 0.0038 to 0.28 ppm(6). It has been identified not quantified in Concord grape essence(7) and as a volatile component of fresh, tree-ripened nectarines(8). Ethyl propionate was identified as a volatile in Italian-type dry-cured ham from a factory in Langhirano, Italy during processing at the following concns (day, condition, (mean concn in ng dodecane equiv)): 3, prior to salting, (0); 25, day dry salting, (0); 125, drying, (0); 211, first ripening, (1); 365, fully mature product (2); 485, post ripening, (3); not specified, spoiled sample, (41)(9).

Adverse EffectsNeurotoxin - Acute solvent syndrome
Effluent Concentrations · 1 件

Ethyl propionate was one of the volatile compounds identified, not quantified, from kitchen waste exudate and in stored food exudates in a study conducted in Denmark(1). It was also detected in the liquid and headspace exudate from garden waste(2). Ethyl propionate was identified, not quantified as a minor volatile from poultry manure(3).

Soil Adsorption/Mobility · 1 件

Using a structure estimation method based on molecular connectivity indices(1), the Koc for ethyl propionate can be estimated to be about 12(SRC). According to a classification scheme(2), this estimated Koc value suggests that ethyl propionate is expected to have very high mobility in soil.

安全データ

wgk
1
tsca
TSCA listed
rtecs
UF3675000
ridadr
UN 1195
hs_code
29159000
risk_code
11

化学と産業

薬理情報

Cellular LocationsCytoplasm

用途と製造

Uses · 6 件

Used as solvent (cellulose ethers/esters, lacquers, and resins), flavoring and fragrance agent, and cutting agent (pyroxylin); [HSDB]

Painting (Solvents) [Category: Paint]

Solvent for cellulose ethers and esters, various natural and synthetic resins; flavoring agent, fruit syrups, cutting agent for pyroxylin.

FRAGRANCE, EG, FOR CHEWING GUM, BAKED GOODS & CANDY; SOLVENT, EG, FOR CELLULOSE ETHERS & ESTERS; CHEM INT FOR PYRIMETHAMINE (ANTIMALARIAL)

Ethyl propionate is used in ... the lacquer industry ...

Flavoring, fragrance

U.S. Production · 5 件

(1979) 8.31X10+7 GRAMS (SALES)

(1981) PROBABLY GREATER THAN 9.08X10+5 GRAMS

(1985) Not reported

(1976) 68 metric tons

Separate statistics for this item are not published to avoid disclosure of individual company operations.

Methods of Manufacturing · 3 件

ESTERIFICATION OF ETHYL ALCOHOL WITH PROPIONIC ACID OR PROPIONIC ANHYDRIDE

Treating ethanol with propionic acid

... Obtained in very good yields by treatment of ethanol with methylketene.

Formulations/PreparationsGrades: Commercial, 85-90% ester content; Food Chemicals Codex
Household ProductsInformation on 1 consumer products that contain Ethyl propionate in the following categories is provided:
Use Classification · 3 件

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

応用分野 · 5 件

用途香料原料、樹脂溶剤

用途天然樹脂,合成樹脂の溶剤、香味料成分

天然物の起源Reported found in several types of wine, in white grape var. Sauvignon, cocoa, apple juice, orange juice, grapefruit juice, guava, melon, peach, pineapple, strawberry, tomato, various cheeses, beer, cognac, rum, whiskey, bourbon, malt whiskey, scotch, cider, brandy, kiwi fruit and mussels.

使用Ethyl Propionate is a flavoring agent that is a transparent liquid, colorless, with an odor resembling rum. it is miscible in alcohol and propylene glycol, soluble in fixed oils, mineral oil, and alcohol, and sparingly soluble in water. it is obtained by chemical synthesis.

一般的な説明Ethyl propionate[105-37-3] appears as a clear colorless liquid with a pineapple-like odor. Flash point 54 °F. Less dense than water and insoluble in water. Vapors are heavier than air.

調製方法

Ethyl propionate is produced by the esterification of ethyl alcohol with propionic acid or propionic anhydride.

純化方法Treat the ester with anhydrous CuSO4 and distil it under nitrogen. [Beilstein 2 IV 205.]

サプライヤー50 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
山东利尔邦新材料有限公司15253390963 15853386234 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]

補足説明

定義ChEBI: Ethyl propionate is a propanoate ester of ethanol. It has a role as a metabolite.

関連反応

330 件

関連ノート

読み込み中…