기본 정보
- CAS
50373-36-9- 표준 SMILES
C=C(C)C1CCC(C)CC1O- InChIKey
ZYTMANIQRDEHIO-UHFFFAOYSA-N- 분자식
- C10H18O
- 평균 분자량
- 154.25 g/mol
- 단동위원소 질량
- 154.1357652
개요
isopulegols has been reported in Achillea abrotanoides, Mentha suaveolens, and other organisms with data available.
이름 및 식별자
- 우선 이름
- Cyclohexanol, 5-methyl-2-(1-methylethenyl)-
- IUPAC
- 5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol
- 현지명
- 이소퓨겐올
- 영어명
- ISOPULEGOL, TECH.
- 분자식
- C10H18O
- 분자량
- 154.25
이름 및 동의어
8(9)-p-Menthen-3-olCyclohexanol, 5-methyl-2-(1-methylethenyl)-5-methyl-2-(1-methylethenyl)cyclohexanol1-Methyl-4-isopropenylcyclohexan-3-ol5-Methyl-2-(1-methylvinyl)cyclohexan-1-olDTXSID3044461EINECS 232-102-8NSC 231369DTXCID1024461EC 232-102-8RefChem:580679232-102-8
이름 더 보기
이소퓨겐올5-메틸-2-(1-메틸비닐)사이클로헥산-1-올IsopregolIsopulegol>Isohu mentholISOPULEGOL MIXShenghu mentholISOPULEGOL, TECH.Isopulegol, ≥ 85.0%PARA-MENTH-8-EN-3-OL
7786-67-65-methyl-2-(prop-1-en-2-yl)cyclohexan-1-ol5-methyl-2-prop-1-en-2-ylcyclohexan-1-oldl-isopulegol5-Methyl-2-(prop-1-en-2-yl)cyclohexanol2-Isopropenyl-5-methylcyclohexanol2-isopropenyl-5-methyl-cyclohexanolISOPULEGOL (MIXTURE OF ISOMERS)
데이터베이스 식별자
- CAS
50373-36-9、7786-67-6- PubChem CID
- 24585
- DTXSID
DTXSID3044461
물성
구조 계산 물성
- XLogP
- 3
- 극성 표면적
- 20.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 151
실험 및 물리화학적 성질
SpringerMaterials PropertiesBoiling point
FragrancesFragrance Ingredient (Cyclohexanol, 5-_methyl-_2-_(1-_methylethenyl)_-) -> IFRA transparency List
Physical DescriptionLiquid
물리화학적 성질
- 끓는 점
- 90 · 90-92°C 12mm
- 밀도
- 0 · 0,91 g/cm3
- 증기압
- 13.97 · 13.97-95Pa at 20-43.61℃
- 굴절률
- 1.4725 · 1.4725
- 인화점
- 78 °C · 78°C
- 용해도
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- 수용성
- 물에 약간 용해됨
- 물리적 상태
- 액체
- 산도 계수 (pKa)
- 15.11 · 15.11±0.60(Predicted)
- 색상
- Colorless to Red to Green
- 냄새
- 10 % · 디프로필렌 글리콜 중 10.00%. 민트티 쿨링 유칼립투스 약용 나무 녹색 잔디 허브
- 냄새 유형
- 민트 맛
- 화장품 원료 기능
- 향기
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 127 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H351: Suspected of causing cancer [Warning Carcinogenicity]
유해성 정보
Regulatory Information
Chemical: Cyclohexanol, 5-methyl-2-(1-methylethenyl)-
Cyclohexanol, 5-methyl-2-(1-methylethenyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Cyclohexanol, 5-methyl-2-(1-methylethenyl)- 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)
Status: Active Update: 25-08-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/16473
Other Safety InformationIMAP assessments - Pulegone and related substances: Human health tier II assessment
Hazard Classes and Categories
Acute Tox. 4 (100%)
Carcinogenicity - category 2
안전 데이터
- tsca
- TSCA listed
- rtecs
- OT0190000
- 독성
- LD50 oral in rat: 1030uL/kg
- HS 번호
- 29061900
- risk_code
- 20/21/22-36/37/38
- safety_code
- 26-36/37/39
화학 및 산업
약리 정보
Cellular LocationsExtracellular
용도 및 제조
U.S. Production2023: 67,412 lb
Consumer UsesFragrance
Industry UsesFragrance
Household ProductsInformation on 1 consumer products that contain Cyclohexanol, 5-methyl-2-(1-methylethenyl)-, (1R,2S,5R)-rel- in the following categories is provided:
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information
Soap, Cleaning Compound, and Toilet Preparation Manufacturing
Cyclohexanol, 5-methyl-2-(1-methylethenyl)-: ACTIVE
Cyclohexanol, 5-methyl-2-(1-methylethenyl)-, (1R,2S,5R)-rel-: ACTIVE
응용 분야
용도Isopulegol is a component of essential and volatile oils extracted from natural sources.
상·하류 제품 정보
상류 원료
하류 제품
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