基本情報
- CAS
110-74-7- 標準SMILES
CCCOC=O- InChIKey
KFNNIILCVOLYIR-UHFFFAOYSA-N- 分子式
- C4H8O2
- 平均分子量
- 88.11 g/mol
- 単同位体質量
- 88.05242949
概要
N-propyl formate appears as a clear colorless liquid with a pleasant odor. Slightly soluble in water and less dense than water. Hence floats on water. Vapors are heavier than air.
名称と識別子
- 優先名称
- Propyl formate
- IUPAC
- propyl formate
- 英語名
- Propyl formate
- 分子式
- C4H8O2
- 分子量
- 88.11
名称と別名
PROPYL FORMATEFormic acid, propyl estern-Propyl formatePropyl methanoateFormiate de propylePropylester kyseliny mravenciFEMA No. 2943Formiate de propyle [French]UNII-WO1ARV6GTWWO1ARV6GTWHCOOCH2CH2CH3Propyl ester of formic acid
名称をさらに表示
EINECS 203-798-0Propylester kyseliny mravenci [Czech]UN1281n-Propyl methanoateBRN 1739272AI3-24243PROPYL FORMATE [MI]PROPYL FORMATE [FCC]
データベース識別子
- CAS
110-74-7- PubChem CID
- 8073
- DTXSID
DTXSID3059391- ChEMBL
CHEMBL2270393- ChEBI
CHEBI:173323- UNII
- WO1ARV6GTW
- EC Number
- 203-798-0
- Nikkaji
- J2.451A
物性
構造計算による物性
- XLogP
- 0.8
- 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
- 6
- 形式電荷
- 0
- 複雑度
- 34.5
実験および物理化学的性質
Chemical ClassesFlammable agents - 3rd degree
SolventsSolvents -> Esters (<C12)
SpringerMaterials PropertiesAcentric factor
LogP
0.83
0.83
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.895-0.905
Flavoring AgentsEU Flavoring substances
Solubility
22 mg/mL at 22 °C
miscible with alcohol, ether, most organic solvents; soluble in 1 ml in 45 ml water
(in ethanol)
Flash Point27 °F (NFPA, 2010)
Boiling Point
80.00 to 82.00 °C. @ 760.00 mm Hg
81-82 °C
Melting Point-92.9 °C
Vapor Pressure
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
Danger
H225: Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264+P265, P271, P280, P303+P361+P353, P304+P340, P305+P351+P338, P319, P337+P317, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
This chemical does not meet GHS hazard criteria for 3.6% (11 of 307) of reports.
Danger
H225 (96.4%): Highly Flammable liquid and vapor [Danger Flammable liquids]
危険有害性情報
Regulatory Information
Chemical: Formic acid, propyl ester
Propyl formate: Does not have an individual approval but may be used under an appropriate group standard
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 - Formic acid, propyl ester: Human health tier I assessment
DOT LabelFlammable Liquid
Fire Hazards
Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.
Health Hazards
Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
· May cause toxic effects if inhaled or absorbed through skin.
Hazards SummaryCauses somnolence in oral lethal-dose studies of rats and mice; [RTECS] Safe when used as a flavoring agent in food; [JECFA] An eye and respiratory tract irritant; Inhalation may have narcotic effects; [Alfa Aesar MSDS] See Ethyl formate.
化学と産業
薬理情報
Cellular LocationsCytoplasm
用途と製造
UsesUsed as flavoring agent or adjuvant; [FDA]
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationFormic acid, propyl ester: ACTIVE
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関連反応
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化合物ノート
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