기본 정보
- CAS
57576-09-7- 표준 SMILES
C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(C)=O- InChIKey
HLHIVJRLODSUCI-ADEWGFFLSA-N- 분자식
- C12H20O2
- 평균 분자량
- 196.29 g/mol
- 단동위원소 질량
- 196.14632988
개요
Isopulegol acetate is a p-menthane monoterpenoid.
이름 및 식별자
- 우선 이름
- Isopulegyl acetate
- IUPAC
- [(1R,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexyl] acetate
- 현지명
- 이소풀레골아세테이트
- 영어명
- ISOPULEGOL ACETATE
- 분자식
- C12H20O2
- 분자량
- 196.29
이름 및 동의어
Isopulegyl acetate57576-09-7FEMA No. 2965R3C4VQ5WQM[(1R,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexyl] acetateNSC-403868DTXSID60904398Cyclohexanol, 5-methyl-2-(1-methylethenyl)-, 1-acetate, (1R,2S,5R)-((1R,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexyl) acetateRefChem:792271DTXCID401333553260-820-1
이름 더 보기
이소풀레골아세테이트FEMA 2965IsopulegylacetatISOPULEGYL ACETATE(RG)P-MENTH-8-EN-3-YL-ACETATEISOPULEGOL ACETATE, NATURALCyclohexanol, 5-methyl-2-(1-methylaceticacid(L)-p-menth-8-en-3-ylester
Isopulegol acetateISOPULEGOLACETATE(1R,2S,5R)-5-methyl-2-(prop-1-en-2-yl)cyclohexyl acetateneo-iso-isopulegol acetateUNII-R3C4VQ5WQMp-Menth-8-en-3-ol acetateCyclohexanol, 5-methyl-2-(1-methylethenyl)-, acetate, (1R,2S,5R)-NSC403868
데이터베이스 식별자
- CAS
57576-09-7、89-49-6
물성
구조 계산 물성
- XLogP
- 3.5
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 232
실험 및 물리화학적 성질
FragrancesFragrance Ingredient (Isopulegyl acetate) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.929-0.936
Flavoring AgentsEU Flavoring substances
Solubility
insoluble in water; soluble in oils
miscible (in ethanol)
Boiling Point232 °C; 104-105 °C (10 mm Hg)
Refractive Index1.454-1.457
Physical DescriptionColourless liquid, fresh, green-minty, leafy, sweet fruity odour
물리화학적 성질
- 녹는점
- 85 °C · 85°C
- 끓는 점
- 232 °C · 232 °C
- 밀도
- 0.92 · 0.92
- 굴절률
- 1.4566 · 1.4566 (estimate)
- FEMA
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 > 99.9% (1625 of 1626) of all reports.
Not Classified
Aggregated GHS information provided per 1626 reports by companies from 2 notifications to the ECHA C&L Inventory.
Danger
H351: Suspected of causing cancer [Warning Carcinogenicity]
P203, P260, P264, P270, P280, P318, P319, P405, and P501 (click each P-code to see the statement)
유해성 정보
Regulatory Information
Chemical: Cyclohexanol, 5-methyl-2-(1-methylethenyl)-, acetate, [1R-(1.alpha.,2.beta.,5.alpha.)]-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Cyclohexanol, 5-methyl-2-(1-methylethenyl)-, acetate, (1R,2S,5R)-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Pulegone and related substances: Human health tier II assessment
Hazard Classes and Categories
Not Classified
Carcinogenicity - category 2
안전 데이터
- tsca
- TSCA listed
화학 및 산업
약리 정보
Cellular LocationsExtracellular
용도 및 제조
Use Classification
Fragrance Ingredients
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationCyclohexanol, 5-methyl-2-(1-methylethenyl)-, 1-acetate, (1R,2S,5R)-: ACTIVE
응용 분야
출처Reported found in buchu and peppermint oils.
제조 방법
By prolonged heating of citronellal with acetic anhydride (with or without sodium acetate)
공급사5 곳
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
BOC Sciences[email protected]
上海问彩新材料科技有限公司15721586846 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
安徽芸赫菲香料有限公司15755158983 15755158983 · [email protected]
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