1-Phenylethanol, (R)- (HCID 637516)

개요

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

이름 및 식별자

우선 이름: 1-Phenylethanol, (R)-
IUPAC: (1R)-1-phenylethanol
영어명: (R)-(+)-1-Phenylethanol
분자식: C8H10O
분자량: 122.16

이름 및 동의어

(R)-1-phenylethanol1517-69-7(R)-(+)-1-Phenylethanol(1R)-1-PHENYLETHANOL(R)-alpha-Methylbenzyl alcohol1-Phenylethanol, (R)-(R)-alpha-methylbenzenemethanolBenzenemethanol, alpha-methyl-, (R)-(+)-1-phenylethanol36N222W94BBenzenemethanol, .alpha.-methyl-, (R)-CHEBI:45616

이름 더 보기

(R)-(+)-sec-Phene(R)-styralyl alcohol(R)-(+)-PHENYLETHANOL(R)-Phenylethanol 99%(R)-1-phenyl-1-ethanol(R)-1-Phenylethane-1-ol(R)-1-Phenylethanol 97%

DTXSID001648531-PHENYLETHANOL, (+)-(+)-SEC-PHENETHYL ALCOHOL(+)-.ALPHA.-PHENYLETHANOL(+)-1-PHENYLETHYL ALCOHOL(+)-.ALPHA.-PHENETHYL ALCOHOL(+)-.ALPHA.-METHYLBENZYL ALCOHOLRefChem:435704

데이터베이스 식별자

CAS: 1517-69-7
PubChem CID: 637516
DTXSID: DTXSID00164853
ChEMBL: CHEMBL151062
ChEBI: CHEBI:45616
UNII: 36N222W94B
EC Number: 604-814-2
Nikkaji: J56.779E

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 20.2 Å²
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

DrugsPharmaceuticals -> Listed in ZINC15

Melting Point11-Sep °C

물리화학적 성질

녹는점: 9 · 9-11 °C (lit.)
끓는 점: 88 · 88-89 °C/10 mmHg (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: Sealed in dry,Room Temperature
용해도: 20 g/L · 20g/L
산도 계수 (pKa): 14.43 · 14.43±0.20(Predicted)
물리적 상태: 투명한 액체
색상: 무색~연황색
냄새: 100 %에서 · 100.00%에서. 꽃무늬 흙빛 녹색 인동덩굴
수소이온지수(pH): 7 · 7 (H2O)
냄새 유형: 꽃향기
수용성: 20 g/L · 20g/L(20℃)
BRN: 2039798 · 2039798
안정성: 안정적인. 가연성. 강산, 강산화제와 호환되지 않습니다.
InChI: 1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3/t7-/m1/s1
InChIKey: WAPNOHKVXSQRPX-SSDOTTSWSA-N
SMILES: C[C@@H](O)c1ccccc1
LogP: 1.42 · 1.420
NIST: Benzenemethanol, «alpha»-methyl-, (R)-(1517-69-7)

화학적 성질

Colorless to Light yellow clear liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (97.8%): 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 46 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-, (R)-

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

Hazard Classes and CategoriesAcute Tox. 4 (97.8%)

안전 데이터

wgk: 3
ridadr: UN 2937 6.1/PG 3
HS 번호: 29062990
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
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

응용 분야

용도(R)-(+)-1-Phenylethanol is used in the synthesis of optically active products. It is also useful in the determination of enantiomeric purity and for resolutions of acids.

일반 설명(R)-1-Phenylethanol can be prepared from ethylbenzene via enantioselective hydroxylation of ethylbenzene catalyzed by peroxygenase enzyme.