CAS 6603-71-0 2-(4-Methylcyclohexyl)acetic acid (HCID 3616945)

기본 정보

CAS: 6603-71-0
표준 SMILES: CC1CCC(CC(=O)O)CC1
InChIKey: OQZGYMRYZAKXAF-UHFFFAOYSA-N
분자식: C9H16O2
평균 분자량: 156.22 g/mol
단동위원소 질량: 156.11502975

이름 및 식별자

우선 이름: 2-(4-Methylcyclohexyl)acetic acid
IUPAC: 2-(4-methylcyclohexyl)acetic acid
현지명: 트랜스-(4-메틸-사이클로헥실)-아세트산
영어명: TRANS-(4-METHYL-CYCLOHEXYL)-ACETIC ACID
분자식: C9H16O2
분자량: 156.22

이름 및 동의어

2-(4-methylcyclohexyl)acetic Acid7132-93-6rac-2-((1r,4r)-4-methylcyclohexyl)acetic acidrac-2-[(1r,4r)-4-methylcyclohexyl]acetic acidRefChem:458079623-544-6676-245-86603-71-0trans-(4-Methyl-cyclohexyl)-acetic acid4-METHYLCYCLOHEXANEACETIC ACID2-(trans-4-Methylcyclohexyl)acetic acidMFCD00074993

이름 더 보기

트랜스-(4-메틸-사이클로헥실)-아세트산trans-4-Methylcyclohexaneacetic acidCyclohexaneacetic acid, 4-methyl-, trans-

MFCD06796533(4-methylcyclohexyl)acetic acidtrans-(4-Methyl-cyclohexyl)-aceticacid4-methylcyclohexylacetic acid4-methyl-cyclohexaneacetic acid2-((1r,4r)-4-methylcyclohexyl)acetic acid(4-Methyl-cyclohexyl)-acetic acid2-((1R,4R)-4-methylcyclohexyl)aceticacid

데이터베이스 식별자

CAS: 6603-71-0、7132-93-6、7132-95-8
PubChem CID: 3616945
DTXSID: DTXSID60984498
EC Number: 623-544-6、676-245-8
Nikkaji: J2.353.072D、J2.353.073B、J540.903I

물성

구조 계산 물성

XLogP: 2.7
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 134

실험 및 물리화학적 성질

SpringerMaterials PropertiesChemical shift

물리화학적 성질

녹는점: 71.5 · 71.5-72.5 °C
끓는 점: 106 · 106-108 °C(Press: 3.5 Torr)
밀도: 0.984 · 0.984±0.06 g/cm3(Predicted)
산도 계수 (pKa): 4.72 · 4.72±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 6건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]