1-Methylcyclohexanol

HCID 11550CAS 590-67-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC1(O)CCCCC1
InChIKey: VTBOTOBFGSVRMA-UHFFFAOYSA-N
분자식: C7H14O
평균 분자량: 114.19 g/mol
단동위원소 질량: 114.10446507

개요

1-Methylcyclohexanol is a tertiary alcohol.

이름 및 식별자

우선 이름: 1-Methylcyclohexanol
IUPAC: 1-methylcyclohexan-1-ol
영어명: 11 -Methylcyclohexanol
분자식: C7H14O
분자량: 114.19

이름 및 동의어

1-METHYLCYCLOHEXANOL590-67-0Cyclohexanol, 1-methyl-1-Methyl-1-cyclohexanolNSC 1247EINECS 209-688-9AI3-15917DTXSID00207739RefChem:76377DTXCID00130230209-688-9InChI=1/C7H14O/c1-7(8)5-3-2-4-6-7/h8H,2-6H2,1H

이름 더 보기

VTBOTOBFGSVRMA-UHFFFAOYSA-N1-methylcyclohexan-1-ol1-methyl-cyclohexanolMFCD000038571-methyl-cyclohexan-1-ol1-Methylcyclohexanol, 96%SCHEMBL23176SCHEMBL41593

데이터베이스 식별자

CAS: 590-67-0
PubChem CID: 11550
DTXSID: DTXSID00207739
ChEBI: CHEBI:89474
EC Number: 209-688-9
Nikkaji: J150.873C

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 8
형식 전하: 0
복잡도: 72.5

실험 및 물리화학적 성질

SpringerMaterials PropertiesOptical coefficient

LogP1.33

DensityRelative density (water = 1): 0.92

Flash Point67 °C

Boiling Point155 °C

Melting Point25 °C

물리화학적 성질

녹는점: 25 °C · 25 °C
끓는 점: 155 °C · 155 °C
밀도: 0.92 g/cm3 · 0.92 g/cm3
산도 계수 (pKa): 15.38 · 15.38±0.20(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H228 (89.8%): Flammable solid [Danger Flammable solids]

P210, P240, P241, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationChemical: Cyclohexanol, 1-methyl-

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to human health

Fire HazardsCombustible. Above 67 °C explosive vapour/air mixtures may be formed.

Hazard Classes and CategoriesFlam. Sol. 1 (89.8%)

안전 및 보호

Fire FightingUse powder, AFFF, foam, carbon dioxide.

First Aid Measures · 3건

Fresh air, rest.

Rinse and then wash skin with water and soap.

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

Spillage DisposalCollect leaking and spilled liquid in sealable containers as far as possible. If solid: sweep spilled substance into containers. If appropriate, moisten first to prevent dusting.

Fire PreventionNO open flames. Above 67 °C use a closed system and ventilation.