기본 정보
- CAS
17162-29-7- 표준 SMILES
CC1CCC(C(C)C)C(OC(=O)C(C)O)C1- InChIKey
UJNOLBSYLSYIBM-UHFFFAOYSA-N- 분자식
- C13H24O3
- 평균 분자량
- 228.33 g/mol
- 단동위원소 질량
- 228.17254462
개요
Menthyl lactate is a p-menthane monoterpenoid.
이름 및 식별자
- 우선 이름
- Propanoic acid, 2-hydroxy-, 5-methyl-2-(1-methylethyl)cyclohexyl ester
- IUPAC
- (5-methyl-2-propan-2-ylcyclohexyl) 2-hydroxypropanoate
- 현지명
- 멘틸락테이트
- 영어명
- Menthyl lactate
- 분자식
- C13H24O3
- 분자량
- 228.33
이름 및 동의어
Propanoic acid, 2-hydroxy-, 5-methyl-2-(1-methylethyl)cyclohexyl ester5-Methyl-2-(1-methylethyl)cyclohexyl lactateEINECS 241-218-8RefChem:869209241-218-817162-29-72-Isopropyl-5-methylcyclohexyl 2-hydroxypropanoate(-)-menthyl lactate5-methyl-2-(propan-2-yl)cyclohexyl 2-hydroxypropanoate(5-methyl-2-propan-2-ylcyclohexyl) 2-hydroxypropanoateMFCD005896391-Methyl-4-isopropyl-3-(2-hydroxypropionate)cyclohexanol
이름 더 보기
멘틸락테이트Menthyl LaCLateMenthyl lactateLactate MenthylLactic acid impurity 41Menthyl lactate USP/EP/BPmenthyl lactate 17162-29-7Natural Menthyl lactate2-Isopropyl-5-methylcyclohexyl lactate2-Hydroxypropionic acid 2-isopropyl-5-methylcyclohexyl ester
SCHEMBL81703(2-isopropyl-5-methyl-cyclohexyl) 2-hydroxypropanoateDTXSID00864740CHEBI:174175BBL018839STK043854AKOS005384179SB48020
물성
구조 계산 물성
- XLogP
- 3.3
- 극성 표면적
- 46.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 237
실험 및 물리화학적 성질
FragrancesFragrance Ingredient (5-Methyl-2-(1-methylethyl)cyclohexyl lactate) -> IFRA transparency List
물리화학적 성질
- 끓는 점
- 304 · 304.0±15.0 °C(Predicted)
- 밀도
- 0.99 · 0.99±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 13.01 · 13.01±0.20(Predicted)
- 냄새
- 온화한 냉각 냄새, 달콤한 멘톨 맛
- InChI
- InChI=1S/C13H24O3/c1-8(2)11-6-5-9(3)7-12(11)16-13(15)10(4)14/h8-12,14H,5-7H2,1-4H3
- InChIKey
- UJNOLBSYLSYIBM-UHFFFAOYSA-N
- SMILES
- C(OC1CC(C)CCC1C(C)C)(=O)C(O)C
- LogP
- 3.358 · 3.358 (est)
- EPA
- 2 · Propanoic acid, 2-hydroxy-, 5-methyl-2-(1-methylethyl)cyclohexyl ester (17162-29-7)
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 7.5% (80 of 1060) of reports.
H412 (92.5%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1060 reports by companies from 2 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: Propanoic acid, 2-hydroxy-, 5-methyl-2-(1-methylethyl)cyclohexyl ester
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Other Safety InformationIMAP assessments - Propanoic acid, 2-hydroxy-, 5-methyl-2-(1-methylethyl)cyclohexyl ester: Human health tier I assessment
Hazard Classes and CategoriesAquatic Chronic 3 (92.5%)
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationPropanoic acid, 2-hydroxy-, 5-methyl-2-(1-methylethyl)cyclohexyl ester: ACTIVE
응용 분야
용도menthyl lactate is a fragrance component. This is the ester of menthol and lactic acid.
공급사100 곳
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
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深圳市星凯越生物科技有限公司0755-18589069862 18589069862 · [email protected]
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Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]
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