기본 정보
- CAS
110-74-7- 표준 SMILES
CCCOC=O- InChIKey
KFNNIILCVOLYIR-UHFFFAOYSA-N- 분자식
- C4H8O2
- 평균 분자량
- 88.11 g/mol
- 단동위원소 질량
- 88.05242949
개요
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.
이름 및 식별자
- 우선 이름
- Propyl formate
- IUPAC
- propyl formate
- 영어명
- Propyl formate
- 분자식
- C4H8O2
- 분자량
- 88.11
이름 및 동의어
PROPYL FORMATEFormic acid, propyl estern-Propyl formatePropyl methanoateFormiate de propylePropylester kyseliny mravenciFEMA No. 2943Formiate de propyle [French]UNII-WO1ARV6GTWWO1ARV6GTWHCOOCH2CH2CH3Propyl ester of formic acid
이름 더 보기
EINECS 203-798-0Propylester kyseliny mravenci [Czech]UN1281n-Propyl methanoateBRN 1739272AI3-24243PROPYL FORMATE [MI]PROPYL FORMATE [FCC]
데이터베이스 식별자
- CAS
110-74-7- PubChem CID
- 8073
- DTXSID
DTXSID3059391- ChEMBL
CHEMBL2270393- ChEBI
CHEBI:173323- UNII
- WO1ARV6GTW
- EC Number
- 203-798-0
- Nikkaji
- J2.451A
물성
구조 계산 물성
- XLogP
- 0.8
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 6
- 형식 전하
- 0
- 복잡도
- 34.5
실험 및 물리화학적 성질
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
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
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]
유해성 정보
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.
화학 및 산업
약리 정보
Cellular LocationsCytoplasm
용도 및 제조
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
공급사51 곳
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