트랜스-4-tert-부틸시클로헥실메탄올

4-tert-Butylcyclohexylmethanol

HCID 82759CAS 10601-39-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(C)(C)C1CCC(CO)CC1
InChIKey: GGWBQKOXLMPNMS-UHFFFAOYSA-N
분자식: C11H22O
평균 분자량: 170.29 g/mol
단동위원소 질량: 170.16706532

이름 및 식별자

우선 이름: 4-tert-Butylcyclohexylmethanol
IUPAC: (4-tert-butylcyclohexyl)methanol
현지명: 트랜스-4-tert-부틸시클로헥실메탄올
영어명: trans-4-tert-butylcyclohexylmethanol
분자식: C11H22O
분자량: 170.29

이름 및 동의어

20691-53-64-tert-ButylcyclohexylmethanolEINECS 243-976-5RefChem:526877243-976-5(4-tert-butylcyclohexyl)methanol10601-39-513004-06-3(4-(tert-butyl)cyclohexyl)methanoltrans-4-tert-Butylcyclohexylmethanol(Cis-4-(tert-butyl)cyclohexyl)methanolcis-4-tert-Butylcyclohexylmethanol

이름 더 보기

트랜스-4-tert-부틸시클로헥실메탄올4β-tert-Butyl-1α-cyclohexanemethanol4-tert-butylcyclohexylmethanol cis-4-tert-butylcyclohexylmethanol

Cyclohexanemethanol, 4-(1,1-dimethylethyl)-trans-4-(tert-Butyl)cyclohexyl)methanol((1s,4s)-4-(tert-Butyl)cyclohexyl)methanolCyclohexanemethanol, 4-(1,1-dimethylethyl)-, trans-EINECS 234-221-0EINECS 235-843-5p-t-butylbenzyl alcohol4-(1,1-Dimethylethyl)cyclohexanemethanol

데이터베이스 식별자

CAS: 10601-39-5、13004-06-3、20691-53-6
PubChem CID: 82759
DTXSID: DTXSID30909870
EC Number: 234-221-0、235-843-5、243-976-5
Nikkaji: J225.306B、J227.023D、J317.763G

물성

구조 계산 물성

XLogP: 3.4
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 126

물리화학적 성질

끓는 점: 227.478 · 227.478±8.00 °C(Press: 760.00 Torr)(predicted)
밀도: 0.89 · 0.890±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
산도 계수 (pKa): 15.049 · 15.049±0.10(predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.