CAS 5448-22-6 rel-(1R,2S)-2-(1,1-Dimethylethyl)cyclohexanol (HCID 6995537)

기본 정보

CAS: 5448-22-6
표준 SMILES: CC(C)(C)[C@@H]1CCCC[C@H]1O
InChIKey: DLTWBMHADAJAAZ-RKDXNWHRSA-N
분자식: C10H20O
평균 분자량: 156.26 g/mol
단동위원소 질량: 156.15141526

이름 및 식별자

우선 이름: rel-(1R,2S)-2-(1,1-Dimethylethyl)cyclohexanol
IUPAC: trans-(1R,2S)-2-tert-butylcyclohexan-1-ol
현지명: 트랜스-2-tert-부틸사이클로헥산-1-올
영어명: trans-2-tert-butylcyclohexan-1-ol
분자식: C10H20O
분자량: 156.27

이름 및 동의어

5448-22-6trans-2-tert-Butylcyclohexan-1-oltrans-2-tert-ButylcyclohexanolCyclohexanol, 2-tert-butyl-, trans-9T74YJB0Y32-tert-Butylcyclohexanol, trans-DTXSID0052201NSC-17482J422.743CRefChem:1097978DTXCID2030772rel-(1R,2S)-2-(1,1-Dimethylethyl)cyclohexanol

이름 더 보기

트랜스-2-tert-부틸사이클로헥산-1-올rac-(1R,2S)-2-tert-Butylcyclohexan-1-olrel-(1R*,2S*)-2-tert-Butyl-1-cyclohexanolCyclohexanol, 2-(1,1-dimethylethyl)-, trans-

226-670-6(1R,2S)-2-tert-butylcyclohexan-1-ol98104-30-4Cyclohexanol, 2-(1,1-dimethylethyl)-, (1R,2S)-rel-Cyclohexanol, 2-(1,1-dimethylethyl)-, (1R,2S)-J415.407J7KM55MK799(1R,2S)-2-(tert-Butyl)cyclohexan-1-ol

데이터베이스 식별자

CAS: 5448-22-6、98104-30-4
PubChem CID: 6995537
DTXSID: DTXSID0052201
UNII: 7KM55MK799、9T74YJB0Y3
EC Number: 226-670-6
Nikkaji: J415.407J

물성

구조 계산 물성

XLogP: 3
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 123

실험 및 물리화학적 성질

FragrancesFragrance Ingredient (trans-2-tert-Butylcyclohexan-1-ol) -> IFRA transparency List

물리화학적 성질

녹는점: 84.5 °C · 84.5 °C
끓는 점: 206.9 · 206.9±8.0 °C(Predicted)
밀도: 0.92 · 0.920±0.06 g/cm3(Predicted)
산도 계수 (pKa): 15.33 · 15.33±0.40(Predicted)
화장품 원료 기능: 향수
LogP: 3.092 · 3.092 (est)
EPA: 2 · Cyclohexanol, 2-(1,1-dimethylethyl)-, (1R,2S)-rel- (5448-22-6)

안전 및 규제

GHS 분류

GHS Classification · 3건

This chemical does not meet GHS hazard criteria for 98.3% (114 of 116) of all reports.

Not Classified

Aggregated GHS information provided per 116 reports by companies from 3 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 2건

Chemical: Cyclohexanol, 2-(1,1-dimethylethyl)-, trans-

(-)-Trans-2-tert-butylcyclohexanol: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Cyclohexanol, 2-(1,1-dimethylethyl)-, trans-: Environment tier I assessment

Hazard Classes and CategoriesNot Classified

안전 데이터

tsca: TSCA listed
기존화학 물질: KE-04255

화학 및 산업

용도 및 제조

Use ClassificationFragrance Ingredients

General Manufacturing InformationCyclohexanol, 2-(1,1-dimethylethyl)-, (1R,2S)-rel-: ACTIVE

상·하류 제품 정보

하류 제품

(-)-trans-2-tert-Butylcyclohexanol

공급사3 곳

海济医药科技（苏州）有限公司18012778619 · [email protected]

BOC Sciences+1-631-485-4226 · [email protected]

江苏药泽医药科技有限公司18550739526 · [email protected]

화합물 노트

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