기본 정보
- 표준 SMILES
CCC(C)(C)C1CCC(O)CC1- InChIKey
VDQZABQVXYELSI-UHFFFAOYSA-N- 분자식
- C11H22O
- 평균 분자량
- 170.29 g/mol
- 단동위원소 질량
- 170.16706532
이름 및 식별자
- 우선 이름
- Cyclohexanol, 4-(1,1-dimethylpropyl)-
- IUPAC
- 4-(2-methylbutan-2-yl)cyclohexan-1-ol
- 영어명
- 4-TERT-AMYLCYCLOHEXANOL
- 분자식
- C11H22O
- 분자량
- 170.29
이름 및 동의어
p-tert-AmylcyclohexanolCyclohexanol, 4-(1,1-dimethylpropyl)-Cyclohexanol, 4-tert-pentyl-4-tert-PentylcyclohexanolNSC 1246EINECS 226-311-3NSC 21165RefChem:580672Cyclohexanol, 4-tert-pentyl-(8CI)226-311-35349-51-920698-30-0
이름 더 보기
4-tert-Amyl-1-cyclohexanolpara-tert-amyl cyclohexanol4-(1,1-Dimethylpropyl)cyclohexanol4-tert-pentylcyclohexanol, cis + trans4-tert-Amylcyclohexanol, cis + trans, 99%4-tert-Amylcyclohexanol,cis/transmixedisomers
4-Tert-Amylcyclohexanol4-(tert-Pentyl)cyclohexanoltrans-4-tert-Amylcyclohexanoltrans-4-(tert-Pentyl)cyclohexanol20698-29-7CIS-4-TERT-PENTYLCYCLOHEXANOLTRANS-4-TERT-PENTYLCYCLOHEXANOL4-(2-methylbutan-2-yl)cyclohexan-1-ol
데이터베이스 식별자
- CAS
20698-29-7、20698-30-0、5349-51-9- PubChem CID
- 79302
- DTXSID
DTXSID9040716- ChEMBL
CHEMBL3183330- UNII
- CE5FR4RF6H、X0DQ676P08
- EC Number
- 226-311-3、606-605-1
- Nikkaji
- J217.914H
물성
구조 계산 물성
- XLogP
- 3.6
- 극성 표면적
- 20.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 132
물리화학적 성질
- 녹는점
- 24 · 24-27 °C(lit.)
- 끓는 점
- 154 · 154-155 °C40 mm Hg(lit.)
- 밀도
- 0.903 g/mL · 0.903 g/mL at 25 °C(lit.)
- 굴절률
- 1.4637 · 1.4637 (estimate)
- 인화점
- 230 °F · >230 °F
- 화장품 원료 기능
- 향수
- LogP
- 3.601 · 3.601 (est)
- EPA
- 4 · Cyclohexanol, 4-(1,1-dimethylpropyl)- (5349-51-9)
안전 및 규제
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 132 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
유해성 정보
Regulatory Information
Chemical: Cyclohexanol, 4-tert-pentyl-
Cyclohexanol, 4-(1,1-dimethylpropyl)-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Cyclohexanol, 4-tert-pentyl-: Human health tier I assessment
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
화학 및 산업
용도 및 제조
General Manufacturing InformationCyclohexanol, 4-(1,1-dimethylpropyl)-: INACTIVE
공급사3 곳
Carbone Scientific CO., LTD[email protected]
CHEMSAMPCO[email protected]
3B Scientific Corporation[email protected]
관련 반응
3건
연결된 노트
불러오는 중…