기본 정보
- CAS
16052-40-7- 표준 SMILES
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1C(=O)O- InChIKey
MNVSUVYRIVXDBK-KXUCPTDWSA-N- 분자식
- C11H20O2
- 평균 분자량
- 184.27 g/mol
- 단동위원소 질량
- 184.14632988
이름 및 식별자
- 우선 이름
- p-Menthane-3-carboxylic acid, (1R,3R,4S)-
- IUPAC
- (1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexane-1-carboxylic acid
- 영어명
- [1R-(1alpha,2beta,5alpha)]-2-(isopropyl)-5-methylcyclohexanecarboxylic acid
- 분자식
- C11H20O2
- 분자량
- 184.28
이름 및 동의어
16052-40-7Cyclohexanecarboxylic acid, 5-methyl-2-(1-methylethyl)-, (1R,2S,5R)-p-Menthane-3-carboxylic acid, (1R,3R,4S)-EINECS 240-199-319IQ88IBRIDTXSID40884866(1R,3R,4S)-p-menthane-3-carboxylic acidp-Menthane-3-carboxylic acid, (1R,3R,4S)-(-)-CYCLOHEXANECARBOXYLIC ACID, 5-METHYL-2-(1-METHYLETHYL)-, (1R-(1.ALPHA.,2.BETA.,5.ALPHA.))-RefChem:858110DTXCID001024287Cyclohexanecarboxylic acid, 5-methyl-2-(1-methylethyl)-, (1R-(1alpha,2beta,5alpha))-
이름 더 보기
Menthyl carboxylic acid(1R,2S,5R)-2-isopropyl-5-methylcyclohexane-1-carboxylic acid[1R-(1α,2β,5α)]-2-(isopropyl)-5-methylcyclohexanecarboxylic acidCooling agent WS-1Acoltremon Impurity 3
(1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexanecarboxylic acid(1R,2S,5R)-2-Isopropyl-5-methylcyclohexanecarboxylic acid(1R,2S,5R)-2-Isopropyl-5-methyl-cyclohexanecarboxylic acidMFCD00798812(-)-Menthylformic acidL-menthol carboxylic acid(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexane-1-carboxylic acid(-)-(1R,3R,4S )-4-Isopropyl-1-methylcyclohexane-3-carboxylic acid
데이터베이스 식별자
- CAS
16052-40-7- PubChem CID
- 85256
- DTXSID
DTXSID40884866- UNII
- 19IQ88IBRI
- EC Number
- 240-199-3
- Nikkaji
- J342.464B
물성
구조 계산 물성
- XLogP
- 3.4
- 극성 표면적
- 37.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 187
물리화학적 성질
- 녹는점
- 66 · 66-69°
- 끓는 점
- 271 ℃ · 271℃
- 밀도
- 0.965 · 0.965
- 인화점
- 132 ℃ · 132℃
- 저장 조건
- Sealed in dry,Room Temperature
- 산도 계수 (pKa)
- 5.19 · 5.19±0.31(Predicted)
- EPA
- 5 · Cyclohexanecarboxylic acid, 5-methyl-2-(1-methylethyl)-, (1R,2S,5R)- (16052-40-7)
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 68.8% (11 of 16) of all reports.
Danger
H302+H332 (12.5%): Harmful if swallowed or if inhaled [Warning Acute toxicity, oral; acute toxicity, inhalation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P304+P340, P305+P351+P338, P305+P354+P338, P317, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 16 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory InformationREACH registered substance: [1R-(1α,2β,5α)]-2-(isopropyl)-5-methylcyclohexanecarboxylic acid (EC: 240-199-3)
Hazard Classes and CategoriesAcute Tox. 4 (25%)
안전 데이터
- tsca
- TSCA listed
- HS 번호
- 2916200090
화학 및 산업
용도 및 제조
General Manufacturing InformationCyclohexanecarboxylic acid, 5-methyl-2-(1-methylethyl)-, (1R,2S,5R)-: ACTIVE
공급사56 곳
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