에틸트랜스-2-하이드록시-1-사이클로헥산카복실레이트,95

trans-Ethyl 2-hydroxycyclohexanecarboxylate

HCID 1268212

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 6125-55-9
표준 SMILES: CCOC(=O)[C@@H]1CCCC[C@H]1O
InChIKey: WOGRTPJVNNCUKN-HTQZYQBOSA-N
분자식: C9H16O3
평균 분자량: 172.22 g/mol
단동위원소 질량: 172.10994437

이름 및 식별자

우선 이름: trans-Ethyl 2-hydroxycyclohexanecarboxylate
IUPAC: trans-ethyl (1R,2R)-2-hydroxycyclohexane-1-carboxylate
현지명: 에틸트랜스-2-하이드록시-1-사이클로헥산카복실레이트,95
영어명: ETHYL TRANS-2-HYDROXY-1-CYCLOHEXANECARBOXYLATE, 95
분자식: C9H16O3
분자량: 172.22

이름 및 동의어

6125-55-9trans-Ethyl 2-hydroxycyclohexanecarboxylate(1R,2R)-ethyl 2-hydroxycyclohexanecarboxylate119068-36-9ethyl (1R,2R)-2-hydroxycyclohexane-1-carboxylateEthyl trans-2-hydroxycyclohexanecarboxylateMFCD00144298trans-2-hydroxy-cyclohexanecarboxylic acid ethyl esterCyclohexanecarboxylic acid, 2-hydroxy-, ethyl ester, (1R,2R)-rel-ethyl (R,R)-2-hydroxycyclohexanecarboxylateSCHEMBL7074592WOGRTPJVNNCUKN-HTQZYQBOSA-N

이름 더 보기

에틸트랜스-2-하이드록시-1-사이클로헥산카복실레이트,95ethyl 2-hydroxycyclohexane-1-carboxylate(1R,2S)-ethyl 2-hydroxycyclohexanecarboxylaterel-Ethyl (1R,2R)-2-hydroxycyclohexanecarboxylateEthyl trans-2-hydroxy-1-cyclohexanecarboxylate,85%ETHYL TRANS-2-HYDROXY-1-CYCLOHEXANECARBOXYLATE, 95ethyl (1R,2R)-rel-2-hydroxycyclohexane-1-carboxylate(1S,2S)-2-hydroxy-1-cyclohexanecarboxylic acid ethyl ester

AKOS015919731CS-W023035DS-1747SY107569(1R,2R)-ethyl2-hydroxycyclohexanecarboxylateethyl (1R,2R)-2-hydroxycyclohexanecarboxylate

데이터베이스 식별자

CAS: 6125-55-9
PubChem CID: 1268212
EC Number: 676-106-1
Nikkaji: J729.871D

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 46.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 12
형식 전하: 0
복잡도: 156

물리화학적 성질

끓는 점: 251 °C/760mmHg · 251°C/760mmHg
밀도: 1.093 · 1.093±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 14.67 · 14.67±0.40(Predicted)
InChI: InChI=1/C9H16O3/c1-2-12-9(11)7-5-3-4-6-8(7)10/h7-8,10H,2-6H2,1H3/t7-,8-/s3
InChIKey: WOGRTPJVNNCUKN-KWTCHIRYNA-N
SMILES: [C@@H]1(C(OCC)=O)CCCC[C@H]1O |&1:0,10,r|

화학적 성질

clear colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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)

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%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

안전 데이터

HS 번호: 29181998

화학 및 산업

공급사29 곳

韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]

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

Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]

Aladdin Scientific[email protected]

上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]

화합물 노트

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