1-Phenylethanol, (S)-
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기본 정보
- CAS
1445-91-6- 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 물성보충 중
- 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
- 형식 전하
- 0
- 복잡도
- 74.6
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
- 98 °C/20 · 98 °C/20 mmHg
- 밀도
- 1.01 · 1.01
- 굴절률
- 1.53 · 1.53
- 인화점
- 85 °C · 85 °C
- 저장 조건
- 2 · 2-8°C
- 용해도
- 20 g/L · 20g/L
- 산도 계수 (pKa)
- 14.43 · 14.43±0.20(Predicted)
- 물리적 상태
- clear liquid
- 색상
- Colorless to Almost colorless
- Specific Gravity
- 1.018 · 1.018
- 냄새
- 100 %에서 · 100.00%에서. 히아신스 치자나무 딸기
- 냄새 유형
- 꽃향기
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
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
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
- 2906299090
- risk_code
- 22-38-41-36/37/38
- hazard_code
- Xn
- safety_code
- 26-39-37/39
- 포장분류
- III
- 위험 등급
- 6.1
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2
화학 및 산업
응용 분야
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.
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