L-(-)-3-phenylmilchsure

(R)-3-phenyllactic acid

HCID 643327

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Grundinformationen

CAS: 20312-36-1
Standard-SMILES: O=C(O)[C@H](O)Cc1ccccc1
InChIKey: VOXXWSYKYCBWHO-MRVPVSSYSA-N
Summenformel: C9H10O3
Durchschnittliche Molmasse: 166,17 g/mol
Monoisotopische Masse: 166,06299418

Überblick

(R)-3-phenyllactic acid is a 3-phenyllactic acid that has (R)-configuration at the 2 position. It is a (2R)-2-hydroxy monocarboxylic acid and a 3-phenyllactic acid. It is a conjugate acid of a (R)-3-phenyllactate. It is an enantiomer of a (S)-3-phenyllactic acid.

Namen und Bezeichner

Bevorzugter Name: (R)-3-phenyllactic acid
IUPAC: (2R)-2-hydroxy-3-phenylpropanoic acid
Lokaler Name: L-(-)-3-phenylmilchsure
Englischer Name: L-(-)-3-Phenyllactic acid
Summenformel: C9H10O3
Molmasse: 166.17

Namen und Synonyme

7326-19-4(R)-3-Phenyllactic acidD-3-phenyllactic acid3-Phenyllactic acid, (R)-68L11J0XBSEINECS 230-803-3CHEBI:32978DTXSID70904708(+)-2-Hydroxy-3-phenylpropionic acidRefChem:407303DTXCID301333817230-803-3

Weitere Namen anzeigen

L-3-PHENYLLACTIC ACID(S)-2-HYDROXY-3-PHENYLPROPANOIC ACID-(?)-3-PhenyLPHENYL L-LACTIC ACIDL-(-)-3-PhenyllacticL-B-PHENYLLACTIC ACID(S)-3-phenyllacticaciL-β-Phenyllactic acidL(-) PHENYLLACTIC ACIDb-Phenyl-L-lactic acid

D-(+)-3-Phenyllactic acid(R)-2-hydroxy-3-phenylpropanoic acid(R)-2-Hydroxy-3-phenylpropionic acid(2R)-2-hydroxy-3-phenylpropanoic acidMFCD00078062D-(+)-Phenyllactic acid(2R)-2-Hydroxy-3-phenyl-propanoic acid(R)-phenyllactate

Datenbank-Bezeichner

CAS: 20312-36-1、7326-19-4
PubChem CID: 643327
DTXSID: DTXSID70904708
ChEBI: CHEBI:32978
UNII: 68L11J0XBS
EC Number: 230-803-3
Nikkaji: J70.490C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,1
Polarare Oberfläche (TPSA): 57,5 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 3
Schwere Atome: 12
Formalladung: 0
Komplexität: 150

Experimentelle und physikochemische Eigenschaften

Melting Point121 - 125 °C

Physical DescriptionSolid

Physikochemische Eigenschaften

Schmelzpunkt: 123 · 123-125 °C
Siedepunkt: 254.38 °C · 254.38°C (rough estimate)
Dichte: 1.1708 · 1.1708 (rough estimate)
Brechungsindex: -21 ° · -21 ° (C=2, H2O)
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: Acetone (Sparingly), Chloroform (Slightly, Heated), DMSO, Methanol (Slightly)
Aggregatzustand: Powder, Crystals or Flakes
pka: 3.72 · 3.72±0.10(Predicted)
Farbe: White to grey to beige-brown
Wasserlöslichkeit: soluble
BRN: 2209792 · 2209792
InChI: 1S/C9H10O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)/t8-/m0/s1
InChIKey: VOXXWSYKYCBWHO-QMMMGPOBSA-N
SMILES: O[C@@H](Cc1ccccc1)C(O)=O
CAS Datenbank: 20312 · 20312-36-1(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.

Warning

H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 17-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/25476

Hazard Classes and CategoriesSkin Irrit. 2 (66.7%)

Sicherheitsdaten

wgk: 3
hs_code: 29181980
risk_code: 23/24/25-36/37/38
hazard_code: T
safety_code: 22-24/25-45-36/37/39-26
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Anwendungen

VerwendenL-(-)-3-Phenyllactic Acid is used in the synthetic preparation of peptidomimetics as neuropeptide S receptor agonists as well as many other useful compounds.