(S)-사이클로헥실-하이드록시-페닐-아세트산

Cyclohexylphenylglycolic acid, (+)-

HCID 777375CAS 20585-34-6
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
O=C(O)[C@@](O)(c1ccccc1)C1CCCCC1
InChIKey
YTRNSQPXEDGWMR-CQSZACIVSA-N
분자식
C14H18O3
평균 분자량
234.29 g/mol
단동위원소 질량
234.12559443

이름 및 식별자

우선 이름
Cyclohexylphenylglycolic acid, (+)-
IUPAC
(2S)-2-cyclohexyl-2-hydroxy-2-phenylacetic acid
현지명
(S)-사이클로헥실-하이드록시-페닐-아세트산
영어명
(S)-Cyclohexyl-hydroxy-phenyl-acetic acid
분자식
C14H18O3
분자량
234.29

이름 및 동의어

20585-34-6(s)-2-cyclohexyl-2-phenylglycolic acidCyclohexylphenylglycolic acid, (+)-alpha-Cyclohexyl-L-mandelic acid950K161U77Cyclohexaneglycolic acid, alpha-phenyl-, (S)-(+)-Benzeneacetic acid, alpha-cyclohexyl-alpha-hydroxy-, (alphaS)-RefChem:196587(S)-Cyclohexyl-hydroxy-phenyl-acetic acid(S)-2-Cyclohexyl-2-hydroxy-2-phenylacetic acid(s)-2-cyclohexyl-2-hydroxy-phenylacetic acidMFCD08061195
이름 더 보기
(S)-사이클로헥실-하이드록시-페닐-아세트산(S)-Cyclohexyl mandelic acid(S)-2,-Cyclohexylmandelic acid(2S)-CYCLOHEXYL(HYDROXY)PHENYLACETIC ACID(S)-(+)-α-Phenyl-cyclohexaneglycolic Acid(S-2-Cyclohexyl-2-Hydroxy-2-Phenylacetic Acid(αS)-α-Cyclohexyl-α-hydroxy-benzeneacetic AcidBenzeneacetic acid, α-cyclohexyl-α-hydroxy-, (αS)-
(2S)-2-cyclohexyl-2-hydroxy-2-phenylacetic acid(S)-2-Cyclohexyl-2-hydroxy-2-phenylaceticacid(S)-CHPGAUNII-950K161U77SCHEMBL198312(+)-cyclohexylphenylglycolic acidYTRNSQPXEDGWMR-CQSZACIVSA-NDTXSID101351150

데이터베이스 식별자

CAS
20585-34-6
PubChem CID
777375
DTXSID
DTXSID101351150
UNII
950K161U77
EC Number
675-871-9
Nikkaji
J1.044.762C

물성

구조 계산 물성

XLogP
3
극성 표면적
57.5 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
3
회전 가능 결합 수
3
무거운 원자 수
17

물리화학적 성질

녹는점
143 · 143-145°C
끓는 점
408.6 · 408.6±25.0 °C(Predicted)
밀도
1.206 · 1.206±0.06 g/cm3(Predicted)
저장 조건
Sealed in dry,Room Temperature
용해도
soluble in Chloroform, Ethanol, Methanol
물리적 상태
고체

화학적 성질

White to Off-White Solid

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

신호 어
Warning
유해·위험 문구
암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302

화학 및 산업

약리 정보

Metabolism/Metabolites2-cyclohexyl-2-phenylglycolic acid is a known human metabolite of (s)-oxybutynin.

응용 분야

용도(S)-2-Cyclohexyl-2-hydroxy-phenylacetic Acid (cas# 20585-34-6) is a compound useful in organic synthesis.

상·하류 제품 정보

공급사22 곳

安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
Cato Research Chemicals Inc.020-81960175 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]

관련 반응

4건
반응 기록 만들기

연결된 노트

불러오는 중…