2-메틸-1-사이클로헥사카난실산

2-Methylcyclohexanecarboxylic acid

HCID 85811

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 15177-62-5
표준 SMILES: CC1CCCCC1C(=O)O
InChIKey: VSKXJRZPVDLHFY-UHFFFAOYSA-N
분자식: C8H14O2
평균 분자량: 142.2 g/mol
단동위원소 질량: 142.09937969

이름 및 식별자

우선 이름: 2-Methylcyclohexanecarboxylic acid
IUPAC: 2-methylcyclohexane-1-carboxylic acid
현지명: 2-메틸-1-사이클로헥사카난실산
영어명: 2-Methyl-1-cyclohexanecarboxylic acid
분자식: C8H14O2
분자량: 142.2

이름 및 동의어

56586-13-12-Methylcyclohexanecarboxylic acidCyclohexanecarboxylic acid, 2-methyl-2-Methyl-2-cyclohexanoic acidEINECS 260-272-3AI3-21681RefChem:476018260-272-32-Methyl-1-cyclohexanecarboxylic acid2-methylcyclohexane-1-carboxylic acidMFCD000749072-Methylcyclohexanecarboxylic Acid;

이름 더 보기

2-메틸-1-사이클로헥사카난실산6-Methyl-1-cyclohexanecarboxylic acid2-Methyl-1-cyclohexanecarboxylic acid,mixture of cis and trans2-Methyl-1-cyclohexanecarboxylic acid, mixture of cis and trans 99%

EINECS 239-227-7trans-2-Methylcyclohexanecarboxylic acidAI3-33905SCHEMBL301766SCHEMBL5397325SCHEMBL87900932-MethylcyclohexanecarboxylicacidSCHEMBL15415817

데이터베이스 식별자

CAS: 15177-62-5、56586-13-1
PubChem CID: 85811
DTXSID: DTXSID10901211
EC Number: 260-272-3
Nikkaji: J267.054B

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 131

물리화학적 성질

녹는점: 79 · 79-80 °C
끓는 점: 241 · 241-242 °C/746 mmHg (lit.)
밀도: 1.009 g/mL · 1.009 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.4633(lit.)
인화점: 180 °F · 180 °F
저장 조건: Store at room temperature
산도 계수 (pKa): 5.43 · 5.43±0.28(Predicted)
물리적 상태: liquid
InChI: 1S/C8H14O2/c1-6-4-2-3-5-7(6)8(9)10/h6-7H,2-5H2,1H3,(H,9,10)
InChIKey: VSKXJRZPVDLHFY-UHFFFAOYSA-N
SMILES: CC1CCCCC1C(O)=O

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.