Cyclohexaneacetic acid, methyl ester

HCID 139743CAS 14352-61-5

기본 정보

표준 SMILES: COC(=O)CC1CCCCC1
InChIKey: IMXBRVLCKXGWSS-UHFFFAOYSA-N
분자식: C9H16O2
평균 분자량: 156.22 g/mol
단동위원소 질량: 156.11502975

이름 및 식별자

우선 이름: Cyclohexaneacetic acid, methyl ester
IUPAC: methyl 2-cyclohexylacetate
영어명: Methyl cyclohexaneacetate
분자식: C9H16O2
분자량: 156.22

이름 및 동의어

14352-61-5Methyl cyclohexylacetateCyclohexaneacetic acid, methyl esterEC 700-789-8NSC 68511RefChem:580497700-789-8methyl 2-cyclohexylacetateMethylcyclohexylacetateMethyl cyclohexaneacetateMFCD00001516SCHEMBL106265

이름 더 보기

Methyl cyclohexylacetate 99%Cyclohexaneacetic acid methyl2-Methylcyclohexylacetate=2MCHAAceticacid2-methylcyclohexylester,stereoisomerMethyl cyclohexylacetate,Methyl cyclohexaneacetate

Methyl cyclohexylacetate, 99%NSC68511NSC-68511EN300-783056Cyclohexyl acetic acid methyl esterCYCLOHEXYLACETIC ACID METHYL ESTERmethyl cyclohexyl acetateFT-0747415

데이터베이스 식별자

CAS: 14352-61-5
PubChem CID: 139743
DTXSID: DTXSID60162451
EC Number: 700-789-8
Nikkaji: J45.114B

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 11
형식 전하: 0
복잡도: 126

물리화학적 성질

끓는 점: 201 °C · 201 °C (lit.)
밀도: 0.951 g/mL · 0.951 g/mL at 25 °C (lit.)
증기압: 46 · 46-84Pa at 20℃
굴절률: 20 · n20/D 1.446(lit.)
인화점: 166 °F · 166 °F
저장 조건: 2 · Storage temp. 2-8°C
용해도: 30 °C에서 · 물에 용해: 30°C에서 용해성0.3g/L
물리적 상태: liquid
냄새: 100 %에서 · 100.00%에서. 과일 열대 바나나 망고 파인애플 꿀
냄새 유형: 과일 같은
수용성: 0.3 g/L · water: soluble 0.3g/L at30°C
화장품 원료 기능: 향기
InChI: InChI=1S/C9H16O2/c1-11-9(10)7-8-5-3-2-4-6-8/h8H,2-7H2,1H3
InChIKey: IMXBRVLCKXGWSS-UHFFFAOYSA-N
SMILES: C1(CC(OC)=O)CCCCC1
LogP: 1.32 at · 1.32 at 20℃ and pH4.7-5.5
NIST: Methylcyclohexylacetate(14352-61-5)
EPA: Cyclohexaneacetic acid, methyl ester (14352-61-5)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (97.6%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P272, P273, P280, P302+P352, P321, P332+P317, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 04-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/7077

Hazard Classes and CategoriesSkin Irrit. 2 (97.6%)

안전 데이터

wgk: 3
tsca: TSCA listed
risk_code: 38-43-52/53
hazard_code: Xi,N
safety_code: 36/37-61
Hazard Classifications: Aquatic Chronic 3Skin Irrit. 2Skin Sens. 1
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

General Manufacturing InformationCyclohexaneacetic acid, methyl ester: ACTIVE

상·하류 제품 정보

상류 원료

하류 제품

Benzofuran, 2,2,3,3,3a,4,4,5,5,6,6,7,7,7a-tetradecafluorooctahydro-2-Cyclohexylethanol

공급사50 곳

上海康恩博医药科技有限公司17510465506 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

연결된 노트

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