기본 정보
- CAS
590-01-2- 표준 SMILES
CCCCOC(=O)CC- InChIKey
BTMVHUNTONAYDX-UHFFFAOYSA-N- 분자식
- C7H14O2
- 평균 분자량
- 130.18 g/mol
- 단동위원소 질량
- 130.09937969
개요
N-butyl proprionate appears as a water-white liquid with an apple-like odor. Less dense than water. Flash point 90 °F. May irritate skin and eyes. Used to make perfumes and flavorings.
이름 및 식별자
- 우선 이름
- Butyl propionate
- IUPAC
- butyl propanoate
- 영어명
- Butyl propanoate
- 분자식
- C7H14O2
- 분자량
- 130.18486
이름 및 동의어
Butyl propionate590-01-2Butyl propanoateN-BUTYL PROPIONATEPropanoic acid, butyl esterPropionic Acid Butyl EsterButyl propionate (natural)n-Butyl n-propionateDTXSID5027223n-butylpropionateUNII-2NXC4AK99EEINECS 209-669-5
이름 더 보기
UN1914Butyl ester of propanoic acidBRN 1700932AI3-24352NSC-8449DTXCID907223BUTYL PROPIONATE [FHFI]N-BUTYL PROPIONATE [MI]
데이터베이스 식별자
- CAS
590-01-2- PubChem CID
- 11529
- DTXSID
DTXSID5027223- ChEMBL
CHEMBL3561586- ChEBI
CHEBI:89831- UNII
- 2NXC4AK99E
- EC Number
- 209-669-5
- Nikkaji
- J45.634I
물성
구조 계산 물성
- XLogP
- 2.1
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 9
- 형식 전하
- 0
- 복잡도
- 79
실험 및 물리화학적 성질
Chemical ClassesFlammable agents - 3rd degree
SolventsSolvents -> Esters (<C12)
SpringerMaterials PropertiesBoiling point
FragrancesFragrance Ingredient (Butyl propionate) -> IFRA transparency List
Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density
0.8754 (USCG, 1999) - Less dense than water; will float
Relative density (water = 1): 0.9
0.868-0.8825
0.893 @ 0°C
Flavoring AgentsEU Flavoring substances
Solubility
1.5 mg/mL at 20 °C
Solubility in water: poor
miscible with alcohol, ether; slightly soluble in water
(in ethanol)
Flash Point
101 °F (USCG, 1999)
32 °C
Boiling Point
296.2 °F at 760 mmHg (USCG, 1999)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H226: Flammable liquid and vapor [Warning 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 0.5% (11 of 2081) of reports.
Warning
H226 (99.5%): Flammable liquid and vapor [Warning Flammable liquids]
유해성 정보
Regulatory Information
Chemical: Propanoic acid, butyl ester
Propanoic acid, butyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Propanoic acid, butyl 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: Butyl propionate (EC: 209-669-5)
Propanoic acid, butyl ester: 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 - Propanoic acid, butyl ester: Human health tier I assessment
DOT LabelFlammable Liquid
Fire Hazards
Special Hazards of Combustion Products: Irritating and toxic gases, such as carbon dioxide and carbon monoxide, may be produced in fire. (USCG, 1999)
· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.
Flammable. Above 32 °C explosive vapour/air mixtures may be formed.
Health Hazards
Contact will cause eye and skin irritation. Vapor exposure may cause eye and respiratory tract irritation. (USCG, 1999)
화학 및 산업
약리 정보
Cellular LocationsCytoplasm
용도 및 제조
Uses
Used to make perfumes and flavorings; [CAMEO] Naturally occurring in fruits; Used for high solid coatings in automotive finishes, appliance coatings, enamels, lacquers, and printing inks, as a solvent for adhesives and nitrocellulose, and in polymerization reactions for acrylic resins; [EPA ChAMP: Submission] Used as a flavoring agent; [FDA]
Painting (Solvents) [Category: Paint]
U.S. Production2023: 5,500,000 - <7,000,000 lb
Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesSolvent
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Propanoic acid, butyl ester: ACTIVE
공급사100 곳
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]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
山东艾利特生物科技有限公司
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…