기본 정보
- CAS
97-87-0- 표준 SMILES
CCCCOC(=O)C(C)C- InChIKey
JSLCOZYBKYHZNL-UHFFFAOYSA-N- 분자식
- C8H16O2
- 평균 분자량
- 144.21 g/mol
- 단동위원소 질량
- 144.11502975
개요
Butylisobutyrate is a carboxylic ester.
이름 및 식별자
- 우선 이름
- Butyl isobutyrate
- IUPAC
- butyl 2-methylpropanoate
- 현지명
- 부틸 이소부틸레이트
- 영어명
- Butyl isobutyrate
- 분자식
- C8H16O2
- 분자량
- 144.21
이름 및 동의어
Butyl isobutyrate97-87-0Butyl 2-methylpropanoateButyl isobutanoatePropanoic acid, 2-methyl-, butyl esterIsobutyric acid, butyl estern-Butyl isobutyrateFEMA No. 2188MFCD00048773PW9UJ5C0F3Isobutyric acid n-butyl esterButyl ester of 2-methylpropanoic acid
이름 더 보기
N-부틸이소부틸레이트부틸이소부틸레이트뷰틸 아이소뷰틸산부틸이소부티레이트FEMA 2188Propanoicacid,2-methyl-,butylesterButylisobutyratBUTYL-ISOBUTYRATbutylisobutanoateButylIsobutyrate>
Butyl isobutyrate; n-Butyl isobutyrateBUTYLISOBUTYRATEButyl isobutyrate (natural)Isobutyric Acid Butyl EsterEINECS 202-614-6UNII-PW9UJ5C0F3AI3-24261Isobutyric acid, butyl ester (6CI,7CI,8CI)
데이터베이스 식별자
- CAS
97-87-0- PubChem CID
- 7353
- DTXSID
DTXSID9073888- ChEBI
CHEBI:179935- UNII
- PW9UJ5C0F3
- EC Number
- 202-614-6
- Nikkaji
- J361A
물성
구조 계산 물성
- XLogP
- 2.4
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 97.4
실험 및 물리화학적 성질
SolventsSolvents -> Esters (<C12)
SpringerMaterials PropertiesDensity
FragrancesFragrance Ingredient (Butyl isobutyrate) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.859-0.864
Flavoring AgentsEU Flavoring substances
Solubility
miscible in alcohol, ether, most fixed oils; insoluble in glycerin, propylene glycol, water
1 ml in 7 ml 60% alcohol (in ethanol)
Boiling Point
156.00 to 158.00 °C. @ 760.00 mm Hg
166 °C
Melting Point< 25 °C
Refractive Index1.401-1.404
Physical Description
Liquid; [Sigma-Aldrich MSDS]
Solid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H226 (100%): 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)
Aggregated GHS information provided per 1641 reports by companies from 4 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: Propanoic acid, 2-methyl-, butyl ester
Propanoic acid, 2-methyl-, butyl ester: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Propanoic acid, 2-methyl-, butyl ester: Environment tier I assessment
Hazards SummarySafe when used as a flavoring agent in food; [JECFA] A skin and strong eye irritant; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
독성 정보
Adverse EffectsNeurotoxin - Acute solvent syndrome
안전 데이터
- wgk
- 2
- rtecs
- UA2466945
- ridadr
- UN 3272 3/PG 3
- HS 번호
- 29156000
- risk_code
- 10-36/37/38
- hazard_code
- Xi
화학 및 산업
약리 정보
Cellular LocationsMembrane
용도 및 제조
UsesUsed as a flavoring agent; [FDA]
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
응용 분야
출처Reported present in Roman chamomile essential oil, papaya, quince, apple, honey, apricot, banana and cheeses.
제조 방법
Prepared from the corresponding acid and n-butyl alcohol by esterification in the presence of concentrated H2SO4 with or without solvent (boiling benzene). Or Butyl isobutyrate is formed by direct esterificalion of n-Butyl alcohol with iso-Butyric acid under azeotropic conditions.
상·하류 제품 정보
상류 원료
하류 제품
공급사100 곳
梯希爱(上海)化成工业发展有限公司
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