기본 정보
- CAS
138663-70-4- 표준 SMILES
CC1CCC(C(C)(C)O)C(O)C1- InChIKey
LMXFTMYMHGYJEI-UHFFFAOYSA-N- 분자식
- C10H20O2
- 평균 분자량
- 172.26 g/mol
개요
P-menthane-3,8-diol is a p-menthane monoterpenoid in which p-menthane carries hydroxy groups at C-3 and C-8. It derives from a hydride of a p-menthane.
이름 및 식별자
- 우선 이름
- P-Menthane-3,8-diol
- IUPAC
- 2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol
- 현지명
- 2-(1-하이드록시-1-메틸에틸)-5-메틸사이클로헥산올
- 영어명
- 2-(1-Hydroxy-1-methylethyl)-5-methylcyclohexanol
- 분자식
- C10H20O2
- 분자량
- 172.26
이름 및 동의어
p-Menthane-3,8-diol42822-86-62-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-olGeranodyleCitriodiolpara-menthane-3,8-diol3,8-p-menthanediolGeranium cyclohexane6T6Z1Z1NC4FEMA NO. 4053DTXSID0035744CHEBI:48250
이름 더 보기
2-(1-하이드록시-1-메틸에틸)-5-메틸사이클로헥산올2-(1-Hydroxy-1-methylethyl)-5-methylcyclohexanolCyclohexanemethanol, 2-hydroxy-α,α,4-trimethyl- (9CI)
Cyclohexanemethanol, 2-hydroxy-alpha,alpha,4-trimethyl-RefChem:169349DTXCID8015744255-953-72-(2'-hydroxypropan-2'-yl)-5-methylcyclohexanol2-(2-Hydroxypropan-2-yl)-5-methylcyclohexanol2-Hydroxy-alpha,alpha,4-trimethylcyclohexanemethanolMFCD12756283
데이터베이스 식별자
- CAS
138663-70-4- ChEBI
CHEBI:48250- UNII
- 6T6Z1Z1NC4
- EC Number
- 103-358-7、255-953-7
- Nikkaji
- J309.978D
물성
구조 계산 물성
- XLogP
- 2.2
- 극성 표면적
- 40.5 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 154
실험 및 물리화학적 성질
FragrancesFragrance Ingredient (2-Hydroxy-alpha,alpha,4-trimethylcyclohexanemethanol) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Flavoring AgentsEU Flavoring substances
Solubility
Slightly soluble in water
Soluble (in ethanol)
Human DrugsBreast Feeding; Lactation; Insect Repellents; Plant Extracts
Physical DescriptionOpaque white crystals; Minty, herbaceous, Eucalyptus-like aroma
물리화학적 성질
- 끓는 점
- 267.6 · 267.6±8.0 °C(Predicted)
- 밀도
- 1.009 · 1.009±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 15.18 · 15.18±0.29(Predicted)
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 2.6% (36 of 1391) of reports.
Danger
H226 (95.7%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P264+P265, P280, P303+P361+P353, P305+P354+P338, P317, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1391 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
유해성 정보
Regulatory Information
Chemical: Cyclohexanemethanol, 2-hydroxy-.alpha.,.alpha.,4-trimethyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
p-Menthane-3,8-diol: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and Categories
Flam. Liq. 3 (95.7%)
Eye Irrit. 2 (100%)
독성 정보
Effects During Pregnancy and Lactation◉ Summary of Use during Lactation
화학 및 산업
약리 정보
MeSH Pharmacological ClassificationAgents that increase mucous excretion. Mucolytic agents, that is drugs that liquefy mucous secretions, are also included here.
Cellular LocationsCytoplasm
용도 및 제조
Household Products
Information on 4 consumer products that contain p-Menthane-3,8-diol in the following categories is provided:
Information on 5 consumer products that contain Menthanediol in the following categories is provided:
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
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