(±)-3-Phenylmilchsure

(+-)-3-Phenyllactic acid

HCID 3848CAS 828-01-3
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Grundinformationen

Standard-SMILES
O=C(O)C(O)Cc1ccccc1
InChIKey
VOXXWSYKYCBWHO-UHFFFAOYSA-N
Summenformel
C9H10O3
Durchschnittliche Molmasse
166,17 g/mol
Monoisotopische Masse
166,06299418

Überblick

3-phenyllactic acid is a 2-hydroxy monocarboxylic acid that is lactic acid in which one of the methyl hydrogens is substituted by a phenyl group. It has a role as a human metabolite. It is functionally related to a rac-lactic acid. It is a conjugate acid of a 3-phenyllactate.

Namen und Bezeichner

Bevorzugter Name
(+-)-3-Phenyllactic acid
IUPAC
2-hydroxy-3-phenylpropanoic acid
Lokaler Name
(±)-3-Phenylmilchsure
Englischer Name
DL-beta-Phenyllactic acid
Summenformel
C9H10O3
Molmasse
166.18

Namen und Synonyme

828-01-33-Phenyllactic acid(+-)-3-Phenyllactic acidSC6T4O59BKCHEBI:25998DTXSID30862436RefChem:905498DTXCID70204179212-580-4DL-3-Phenyllactic acid2-Hydroxy-3-phenylpropanoic acidDL-beta-Phenyllactic acid
Weitere Namen anzeigen
Phenyllactic acidDL-β-Phenyllactic acid3-Phenyl-2-hydroxypropanoic acidBa-2653Ai3-50440Einecs 212-580-43-phenyllacticaci(RS)-Phenyllactic acid
2-Hydroxy-3-phenylpropionic acid2-hydroxy-3-phenyl-propionic acidbeta-Phenyllactic acidDL-b-Phenyllactic acidL(-)-3-Phenyllactic acidBenzenepropanoic acid, alpha-hydroxy-MFCD00065928DL-Phenyllactic acid

Datenbank-Bezeichner

CAS
828-01-3
PubChem CID
3848
DTXSID
DTXSID30862436
ChEMBL
CHEMBL1778420
ChEBI
CHEBI:25998
UNII
SC6T4O59BK
EC Number
212-580-4
Nikkaji
J10.217B、J2.433.036B、J2.433.037K

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,1
Polarare Oberfläche (TPSA)
57,5 Ų
H-Brücken-Donoren
2
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
3
Schwere Atome
12

Experimentelle und physikochemische Eigenschaften

LogP1.83
Melting Point98 °C
Physical DescriptionSolid
Collision Cross Section137.8 Ų [M+H]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]

Physikochemische Eigenschaften

Schmelzpunkt
95 · 95-98 °C
Siedepunkt
254.38 °C · 254.38°C (rough estimate)
Dichte
1.265 · 1.265
Brechungsindex
1.5286 · 1.5286 (estimate)
storage temp.
2 · 2-8°C
Löslichkeit
Acetonitrile (Slightly), DMSO (Slightly)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 20% (1 of 5) of reports.

Warning

H319 (80%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory.

Sicherheitsdaten

wgk
3
tsca
TSCA listed
hs_code
29181990
safety_code
22-24/25
Speicherklasse
11 - Combustible Solids

Chemie und Industrie

Pharmakologische Informationen

Tissue LocationsPlacenta

Verwendung und Herstellung

General Manufacturing InformationBenzenepropanoic acid, .alpha.-hydroxy-: INACTIVE

Anwendungen

VerwendenReagent involved in biological studies of:Enantioselectivity of lipase in transesterificationOxidation by glycolate oxidase and catalase

Vor- und nachgelagerte Produkte

Nachgelagerte Produkte

Anbieter50 Anbieter

郑州阿尔法化工有限公司+86-18530059196 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: A 2-hydroxy monocarboxylic acid that is lactic acid in which one of the methyl hydrogens is substituted by a phenyl group.

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