기본 정보
- CAS
13293-59-9- 표준 SMILES
CC1CCCC(C(=O)O)C1- InChIKey
CIFSKZDQGRCLBN-UHFFFAOYSA-N- 분자식
- C8H14O2
- 평균 분자량
- 142.2 g/mol
- 단동위원소 질량
- 142.09937969
이름 및 식별자
- 우선 이름
- 3-Methylcyclohexanecarboxylic acid
- IUPAC
- 3-methylcyclohexane-1-carboxylic acid
- 현지명
- 3-메틸-1-사이클로헥사카난실산
- 영어명
- 3-METHYL-1-CYCLOHEXANECARBOXYLIC ACID
- 분자식
- C8H14O2
- 분자량
- 142.2
이름 및 동의어
3-Methylcyclohexanecarboxylic acid13293-59-9EINECS 236-314-1RefChem:504189236-314-13-Methylcyclohexane-1-carboxylic acid3-Methyl-1-Cyclohexanecarboxylic Acid(1R,3S)-3-Methyl-cyclohexanecarboxylic acid(1S,3R)-3-Methyl-cyclohexanecarboxylic acidCyclohexanecarboxylic acid, 3-methyl-trans-3-Methyl-cyclohexanecarboxylic acidMFCD00074908
이름 더 보기
3-메틸-1-사이클로헥사카난실산3-methylcyclohexane-1-carboxylic acid - [AC77742]3-Methyl-1-cyclohexanecarboxylic acid,mixture of cis and trans3-Methyl-1-cyclohexanecarboxylic acid, mixture of cis and trans 98%3-METHYL-1-CYCLOHEXANECARBOXYLIC ACID, 9 8%, MIXTURE OF CIS AND TRANS3-Methyl-1-cyclohexanecarboxylic acid, mixture of cis and trans
1821725-40-9(1R,3R)-3-Methyl-cyclohexanecarboxylic acidSCHEMBL254912(1R,3R)-3-Methyl-cyclohexanecarboxylicacid1821742-33-9SY0365881821712-22-473873-49-1
데이터베이스 식별자
- CAS
13293-59-9- PubChem CID
- 114490
- DTXSID
DTXSID50901210- EC Number
- 236-314-1
- Nikkaji
- J213.814J
물성
구조 계산 물성
- XLogP
- 2.1
- 극성 표면적
- 37.3 Ų
- 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
- 175 ℃ · 175℃ (decomposition) (benzene ligroine )
- 끓는 점
- 136 · 136-138℃ (17 Torr)
- 밀도
- 0.989 g/mL · 0.989 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.459(lit.)
- 인화점
- 230 °F · >230 °F
- 저장 조건
- Sealed in dry,Room Temperature
- 물리적 상태
- liquid
- InChI
- InChI=1S/C8H14O2/c1-6-3-2-4-7(5-6)8(9)10/h6-7H,2-5H2,1H3,(H,9,10)
- InChIKey
- CIFSKZDQGRCLBN-UHFFFAOYSA-N
- SMILES
- C1(C(O)=O)CCCC(C)C1
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+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.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도3-Methyl-1-cyclohexanecarboxylic acid was employed as a model naphthenic acid for quantitative determination of naphthenic acids in water by liquid chromatography-accurate mass time-of-flight mass spectrometry. It was also used in the synthesis of substituted cyclohexyl carbonyl chlorides.
상·하류 제품 정보
하류 제품
공급사34 곳
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
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Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
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