1-메틸사이클로헥산-1-카르복실 산

1-Methylcyclohexanecarboxylic acid

HCID 70744CAS 1123-25-7
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CC1(C(=O)O)CCCCC1
InChIKey
REHQLKUNRPCYEW-UHFFFAOYSA-N
분자식
C8H14O2
평균 분자량
142.2 g/mol
단동위원소 질량
142.09937969

개요

inducer of neuroblastoma morphological differentiation; RN given refers to parent cpd

이름 및 식별자

우선 이름
1-Methylcyclohexanecarboxylic acid
IUPAC
1-methylcyclohexane-1-carboxylic acid
현지명
1-메틸사이클로헥산-1-카르복실 산
영어명
1-Methyl-1-cyclohexanecarboxylic acid
분자식
C8H14O2
분자량
142.2

이름 및 동의어

1-Methylcyclohexanecarboxylic acid1123-25-7Cyclohexanecarboxylic acid, 1-methyl-DTXSID10149979methyl-CCARefChem:76376DTXCID1072470214-371-31-Methylcyclohexane-1-carboxylic acid1-Methyl-1-cyclohexanecarboxylic acid1-Methylcyclohexylcarboxylic acidMFCD00001463
이름 더 보기
1-메틸사이클로헥산-1-카르복실산1-methyl-cyclohexanecarboxylicaciSKL089METHYL-CYCLO-HEXANOICACID1-methyl-1-cyclohexanoicacid1-Carboxy-1-methylcyclohexane1-methylcyclohexylcarboxylicacid
EINECS 214-371-3SCHEMBL18449EC 214-371-31-Methyl cyclohexanecarboxylic acid1-methyl-cyclohexanecarboxylic acid1-methylcyclohexane carboxylic acid4-09-00-00041 (Beilstein Handbook Reference)SY004269

데이터베이스 식별자

CAS
1123-25-7
PubChem CID
70744
DTXSID
DTXSID10149979
EC Number
214-371-3
Nikkaji
J135.794H

물성

구조 계산 물성

XLogP
2.2
극성 표면적
37.3 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
2
회전 가능 결합 수
1
무거운 원자 수
10

물리화학적 성질

녹는점
36 · 36-39 °C(lit.)
끓는 점
234 °C · 234 °C(lit.)
밀도
1.0037 · 1.0037 (rough estimate)
굴절률
1.46 · 1.4600 (estimate)
인화점
213 °F · 213 °F
저장 조건
Sealed in dry,Room Temperature

화학적 성질

WHITE TO YELLOW CRYSTALS OR CRYSTALLINE POWDER

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Status: Active Update: 27-02-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/12491

Cyclohexanecarboxylic acid, 1-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (25%)

안전 데이터

wgk
3
rtecs
GU8585500
독성
mouse,LD50,intraperitoneal,860mg/kg (860mg/kg),BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)BEHAVIORAL: ATAXIA,Neuropharmacology. Vol. 24, Pg. 427, 1985.
HS 번호
29162000
hazard_code
Xi
safety_code
24/25

화학 및 산업

응용 분야 · 2건

용도1-Methyl-1-cyclohexanecarboxylic acid was used as internal standard during the determination of valproic acid metabolites. Also been used as an anticonvulsant drug and causes maturation of murine neuroblastoma cells in vitro. Used in the synthesis of p38 map kinase.

일반 설명1-Methyl-1-cyclohexanecarboxylic acid is the structural analog of valproic acid and its pharmacokinetic action has been studied in female Sprague-Dawley rats.

상·하류 제품 정보

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [email protected]

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