1-Phenylethanol, (S)-

HCID 443135CAS 1445-91-6
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
C[C@H](O)c1ccccc1
InChIKey
WAPNOHKVXSQRPX-ZETCQYMHSA-N
분자식
C8H10O
평균 분자량
122.16 g/mol
단동위원소 질량
122.07316494

개요

(S)-1-phenylethanol is the (S)-enantiomer of 1-phenylethanol. It has a role as a mouse metabolite. It is an enantiomer of a (R)-1-phenylethanol.

이름 및 식별자

우선 이름
1-Phenylethanol, (S)-
IUPAC
(1S)-1-phenylethanol
영어명
(S)-(-)-1-PHENYLETHANOL
분자식
C8H10O
분자량
122.16

이름 및 동의어

(S)-1-Phenylethanol1445-91-6(S)-(-)-1-Phenylethanol(1S)-1-phenylethanol1-Phenylethanol, (S)-(S)-alpha-methylbenzenemethanol(S)-1-Phenethyl alcohol2MIC4QLY2XBenzenemethanol, .alpha.-methyl-, (.alpha.S)-(-)-1-phenylethanol(S)-(-)-sec-Phenethyl Alcohol(-)-sec-phenethyl alcohol
이름 더 보기
(S)-1-phenylethan-1-ol(S)-(-)-PHENYLETHANOL(1S)-1-phenylethan-1-ol(±)-1-phenylethanolCgH1oOSodium 3-((3l-1-Phenylethanol.(S)-styralyl alcohol
Benzenemethanol, alpha-methyl-, (S)-Benzenemethanol, .alpha.-methyl-, (S)-(S)-PHENYLMETHYLCARBINOLDTXSID4073259CHEBI:163461-PHENYLETHANOL, (-)-(-)-.ALPHA.-PHENYLETHANOL(-)-1-PHENYL-1-ETHANOL

데이터베이스 식별자

CAS
1445-91-6
PubChem CID
443135
DTXSID
DTXSID4073259
ChEMBL
CHEMBL348446
ChEBI
CHEBI:16346
UNII
2MIC4QLY2X
EC Number
604-424-2
Nikkaji
J56.778G

물성

구조 계산 물성

XLogP
1.4
극성 표면적
20.2 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
1
회전 가능 결합 수
1
무거운 원자 수
9

실험 및 물리화학적 성질

PolymersOther Classes -> Alcohols and Polyols, Other
SpringerMaterials PropertiesOptical coefficient
Physical DescriptionClear light yellow liquid; [Sigma-Aldrich MSDS]

물리화학적 성질

녹는점
9 · 9-11 °C(lit.)
끓는 점
88 · 88-89 °C10 mm Hg(lit.)
밀도
1.012 g/mL · 1.012 g/mL at 20 °C(lit.)
굴절률
20 · n20/D 1.528
인화점
85 °C · 85 °C
저장 조건
2 · 2-8°C

화학적 성질

Colorless to light yellow liqui

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (98%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Chemical: Benzenemethanol, .alpha.-methyl-, (S)-

(S)-(-)-1-Phenylethanol: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryAn irritant that may cause serious eye injury; Toxic by ingestion; Targets the kidney; [Sigma-Aldrich MSDS] See alpha-Methylbenzyl alcohol.
Hazard Classes and CategoriesAcute Tox. 4 (98%)

안전 데이터

wgk
3
rtecs
DO9275000
ridadr
UN 2937 6.1/PG 3
HS 번호
29062990
risk_code
22-38-41-36/37/38
hazard_code
Xn

화학 및 산업

응용 분야 · 2건

용도It finds its application in the synthesis of optically active products. Used for the synthesis of various pharmaceutical compounds. It can also be used as a chiral derivatizing agent for determining the absolute configuration of secondary alcohols.

일반 설명(S)-(-)-1-Phenylethanol can be prepared from acetophenone via enantioselective bioreduction in the presence of Rhizopus arrhizus as a biocatalyst.

상·하류 제품 정보

공급사50 곳

北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海策嵘生物科技有限公司[email protected]
广州理文科技有限公司18028686850 · [email protected]

추가 설명

정의ChEBI: The (S)-enantiomer of 1-phenylethanol.

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