1-Phenylethanol, (S)-

HCID 443135CAS 1445-91-6
TeilstruktursucheÄhnliche Strukturen suchen

Grundinformationen

Standard-SMILES
C[C@H](O)c1ccccc1
InChIKey
WAPNOHKVXSQRPX-ZETCQYMHSA-N
Summenformel
C8H10O
Durchschnittliche Molmasse
122,16 g/mol
Monoisotopische Masse
122,07316494

Überblick

(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.

Namen und Bezeichner

Bevorzugter Name
1-Phenylethanol, (S)-
IUPAC
(1S)-1-phenylethanol
Englischer Name
(S)-(-)-1-PHENYLETHANOL
Summenformel
C8H10O
Molmasse
122.16

Namen und Synonyme

(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
Weitere Namen anzeigen
(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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,4
Polarare Oberfläche (TPSA)
20,2 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
1
Schwere Atome
9

Experimentelle und physikochemische Eigenschaften

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

Physikochemische Eigenschaften

Schmelzpunkt
9 · 9-11 °C(lit.)
Siedepunkt
88 · 88-89 °C10 mm Hg(lit.)
Dichte
1.012 g/mL · 1.012 g/mL at 20 °C(lit.)
Brechungsindex
20 · n20/D 1.528
Flammpunkt
85 °C · 85 °C
storage temp.
2 · 2-8°C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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.

Gefahrenhinweise

Regulatory Information · 2 Einträge

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%)

Sicherheitsdaten

wgk
3
ridadr
UN 2937 6.1/PG 3
hs_code
29062990
RTECS-Nr.
DO9275000
risk_code
22-38-41-36/37/38
hazard_code
Xn

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenIt 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.

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

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]

Ergänzende Hinweise

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

Zugehörige Reaktionen

97
Reaktionsaufzeichnung erstellen

Verknüpfte Notizen

Wird geladen…