CAS 14064-13-2 (1-Methylcyclohexyl)methanol (HCID 1501840)

기본 정보

CAS: 14064-13-2
표준 SMILES: CC1(CO)CCCCC1
InChIKey: UUBPRIUBEQJUQL-UHFFFAOYSA-N
분자식: C8H16O
평균 분자량: 128.21 g/mol
단동위원소 질량: 128.12011513

이름 및 식별자

우선 이름: (1-Methylcyclohexyl)methanol
IUPAC: (1-methylcyclohexyl)methanol
현지명: 1-하이드록시메틸-1-메틸사이클로헥산
영어명: 1-Hydroxymethyl-1-methylcyclohexane
분자식: C8H16O
분자량: 128.21

이름 및 동의어

(1-methylcyclohexyl)methanol14064-13-2Cyclohexanemethanol, 1-methyl-DTXSID70363533RefChem:392400DTXCID70314580830-021-81-Hydroxymethyl-1-methylcyclohexane1-MethylcyclohexanemethanolMFCD002703181-methyl-1-cyclohexylmethanol(1-Methylcyclohexanyl)methanol

이름 더 보기

1-하이드록시메틸-1-메틸사이클로헥산SKL572(1-Methylcyclohexyl)methanol - [M88483]

Cyclohexanemethanol,1-methyl-1-Methyl-1-cyclohexanemethanolmethylcyclohexane methanol1-methylcyclohexyl-methanol4FNG3S8JX5SCHEMBL17633(1-methyl-cyclohexyl)-methanolSCHEMBL1929928

데이터베이스 식별자

CAS: 14064-13-2
PubChem CID: 1501840
DTXSID: DTXSID70363533
UNII: 4FNG3S8JX5
EC Number: 830-021-8
Nikkaji: J1.232.067A

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 82.6

물리화학적 성질

끓는 점: 197 · 197-198 °C(Press: 768 Torr)
밀도: 0.893 · 0.893±0.06 g/cm3(Predicted)
저장 조건: Refrigerator
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 기름
산도 계수 (pKa): 15.05 · 15.05±0.10(Predicted)
색상: 무색~담황색
InChI: 1S/C8H16O/c1-8(7-9)5-3-2-4-6-8/h9H,2-7H2,1H3
InChIKey: UUBPRIUBEQJUQL-UHFFFAOYSA-N
SMILES: CC1(CO)CCCCC1

화학적 성질

Pale Yellow Oil

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H227 (100%): Combustible liquid [Warning Flammable liquids]

P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, 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.