5-Methyl-2-(propan-2-yl)cyclohexyl 2-chloroacetate

HCID 2770196

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 106916-72-7
표준 SMILES: CC1CCC(C(C)C)C(OC(=O)CCl)C1
InChIKey: XHQPKRVACXDVNV-UHFFFAOYSA-N
분자식: C12H21ClO2
평균 분자량: 232.74 g/mol

이름 및 식별자

우선 이름: 5-Methyl-2-(propan-2-yl)cyclohexyl 2-chloroacetate
IUPAC: (5-methyl-2-propan-2-ylcyclohexyl) 2-chloroacetate
영어명: 2-ISOPROPYL-5-METHYLCYCLOHEXYL CHLOROACETATE
분자식: C12H21ClO2
분자량: 232.75

이름 및 동의어

106916-72-75-methyl-2-(propan-2-yl)cyclohexyl 2-chloroacetate2-ISOPROPYL-5-METHYLCYCLOHEXYL 2-CHLOROACETATEMenthyl 2-chloroacetate(5-methyl-2-propan-2-ylcyclohexyl) 2-chloroacetatementhyl chloroacetate(2-isopropyl-5-methyl-cyclohexyl) 2-chloroacetateChloro-acetic acid 2-isopropyl-5-methyl-cyclohexyl ester(-)-menthyl chloroacetateSCHEMBL474094XHQPKRVACXDVNV-UHFFFAOYSA-NGEA91672

이름 더 보기

Chloroacetic acid menthyl esterChloroacetic acid p-menthan-3-yl ester2-ISOPROPYL-5-METHYLCYCLOHEXYL CHLOROACETATE5-Methyl-2-(1-methylethyl)cyclohexyl 2-chloroacetateAcetic acid, 2-chloro-, 5-methyl-2-(1-methylethyl)cyclohexyl ester

MFCD00040700STK041878AKOS000115098AKOS016352054CS-0218633ST45031445EN300-01569F74657

데이터베이스 식별자

CAS: 106916-72-7
PubChem CID: 2770196
EC Number: 172-256-2
Nikkaji: J22.830C

물성

구조 계산 물성

XLogP: 4.2
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 4
무거운 원자 수: 15
형식 전하: 0
복잡도: 216

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, 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.