기본 정보
- CAS
2153-28-8- 표준 SMILES
CCCC(=O)OC(C)(C)C1CC=C(C)CC1- InChIKey
LWKWNIYBQLKBMQ-UHFFFAOYSA-N- 분자식
- C14H24O2
- 평균 분자량
- 224.34 g/mol
- 단동위원소 질량
- 224.17763
개요
Alpha-Terpineol butanoate is a p-menthane monoterpenoid.
이름 및 식별자
- 우선 이름
- alpha-Terpinyl butyrate
- IUPAC
- 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl butanoate
- 영어명
- TERPINYL BUTYRATE
- 분자식
- C14H24O2
- 분자량
- 224.34
이름 및 동의어
2153-28-8Terpinyl butyratealpha-Terpinyl butyrateButanoic acid, 1-methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl ester.alpha.-Terpinyl butyrateButyric acid, p-menth-1-en-8-yl esterP-Menth-1-en-8-yl butyrateL94B6AU40NDTXSID30862850EINECS 218-445-61-Methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl butyrateFEMA NO. 3049, .ALPHA.-
이름 더 보기
FEMA 3049ALPHA TERPINYL BUTYRATEterpinyl butyrate USP/EP/BPTerpinyl butyrate, mixture of isomersButyric acid p-mentha-1-ene-8-yl esterTERPINYL BUTYRATE 95+% MIXTURE OF ISO&Terpinyl butyrate, mixture of isomers >=95%2-(4-Methylcyclohex-3-en-1-yl)propan-2-yl butyrate2-(4-methylcyclohex-3-en-1-yl)propan-2-yl butanoate
1-Methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl butanoateRefChem:555953TERPINYL BUTYRATE [FHFI]DTXCID1081156338LE05T23DFEMA NO. 3049, ALPHA-(+-)-ALPHA-TERPINYL BUTYRATE(+-)-.ALPHA.-TERPINYL BUTYRATE
데이터베이스 식별자
물성
구조 계산 물성
- XLogP
- 3.2
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 276
실험 및 물리화학적 성질
FragrancesFragrance Ingredient (Terpinyl butyrate) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.962-0.968 (15.5 °C)
Flavoring AgentsEU Flavoring substances
Solubility
insoluble in water; soluble in alcohols and oils
(in ethanol)
Boiling Point
244.00 to 246.00 °C. @ 760.00 mm Hg
244-246 °C
Refractive Index1.463-1.468
Physical Descriptionclear, colourless liquid
물리화학적 성질
- 끓는 점
- 244 °C · 244 °C(lit.)
- 밀도
- 0.938 g/mL · 0.938 g/mL at 25 °C(lit.)
- FEMA
- 3049 · 3049 | TERPINYL BUTYRATE
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 91.4% (127 of 139) of all reports.
Not Classified
Aggregated GHS information provided per 139 reports by companies from 3 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: Butanoic acid, 1-methyl-1-(4-methyl-3-cyclohexen-1-yl)ethylester
Butanoic acid, 1-methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl ester: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Butanoic acid, 1-methyl-1-(4-methyl-3-cyclohexen-1-yl)ethylester: Environment tier I assessment
Hazard Classes and CategoriesNot Classified
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- 기존화학 물질
- KE-05-0837
화학 및 산업
약리 정보
Cellular LocationsExtracellular
용도 및 제조
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing InformationButanoic acid, 1-methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl ester: ACTIVE
응용 분야
출처Reported found in the essential oils of niaouli, cypress and Eucalyptus diversicolor.
공급사14 곳
Aladdin Scientific[email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
重庆科脉材料科技有限公司13370757113 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
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