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

Überblick

(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.

Namen und Bezeichner

Bevorzugter Name: 1-Phenylethanol, (R)-
IUPAC: (1R)-1-phenylethanol
Englischer Name: (R)-(+)-1-Phenylethanol
Summenformel: C8H10O
Molmasse: 122.16

Namen und Synonyme

(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

Weitere Namen anzeigen

(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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,4
Polarare Oberfläche (TPSA): 20,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 9
Formalladung: 0
Komplexität: 74,6

Experimentelle und physikochemische Eigenschaften

DrugsPharmaceuticals -> Listed in ZINC15

Melting Point11-Sep °C

Physikochemische Eigenschaften

Schmelzpunkt: 9 · 9-11 °C (lit.)
Siedepunkt: 88 · 88-89 °C/10 mmHg (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.: Sealed in dry,Room Temperature
Löslichkeit: 20 g/l · 20g/l
pka: 14.43 · 14.43±0.20(Predicted)
Aggregatzustand: clear liquid
Farbe: Colorless to Light yellow
Geruch (Odor): 100 % · at 100.00 %. floral earthy green honeysuckle
PH: 7 · 7 (H2O)
Geruchsart: floral
Wasserlöslichkeit: 20 G/L · 20 G/L (20 ºC)
BRN: 2039798 · 2039798
Stabilität: Stable. Flammable. Incompatible with strong acids, strong oxidizing agents.
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
CAS Datenbank: 1517 · 1517-69-7(CAS DataBase Reference)
NIST chemische Informationen: Benzenemethanol, «alpha»-methyl-, (R)-(1517-69-7)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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.

Gefahrenhinweise

Regulatory Information · 2 Einträge

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%)

Sicherheitsdaten

wgk: 3
ridadr: UN 2937 6.1/PG 3
hs_code: 29062990
risk_code: 22-38-41-36/37/38
hazard_code: Xn
safety_code: 26-39-37/39
hazard_class: 6.1
packing_group: III
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2

Chemie und Industrie

Anwendungen

Verwenden(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.