(+-)-3-(4-Hydroxyphenyl)lactic acid
Grundinformationen
- CAS
306-23-0- Standard-SMILES
O=C(O)C(O)Cc1ccc(O)cc1- InChIKey
JVGVDSSUAVXRDY-UHFFFAOYSA-N- Summenformel
- C9H10O4
- Durchschnittliche Molmasse
- 182,17 g/mol
- Monoisotopische Masse
- 182,0579088
Überblick
3-(4-hydroxyphenyl)lactic acid is a 2-hydroxy carboxylic acid that is lactic acid in which one of the methyl hydrogens is substituted by a 4-hydroxyphenyl group. It has a role as a bacterial metabolite and a human metabolite. It is a member of phenols and a 2-hydroxy carboxylic acid. It is functionally related to a rac-lactic acid. It is a conjugate acid of a 3-(4-hydroxyphenyl)lactate.
Namen und Bezeichner
- Bevorzugter Name
- (+-)-3-(4-Hydroxyphenyl)lactic acid
- IUPAC
- 2-hydroxy-3-(4-hydroxyphenyl)propanoic acid
- Englischer Name
- 3-(4-Hydroxyphenyl)lactate
- Summenformel
- C9H10O4
- Molmasse
- 182.17
Namen und Synonyme
306-23-03-(4-Hydroxyphenyl)lactic acidHPLA4-Hydroxyphenyllactic acidLactic acid, (p-hydroxyphenyl)-2-Hydroxy-3-(p-hydroxyphenyl)propionic acidbeta-(p-Hydroxyphenyl)lactic acidbeta-(4-Hydroxyphenyl)lactic acidLactic acid, 3-(p-hydroxyphenyl)-alpha,4-Dihydroxybenzenepropanoic acidEP7PS9S776Benzenepropanoic acid, alpha,4-dihydroxy-
Weitere Namen anzeigen
Lactic acid impurity 1204-hydroxyphenyllacticacid3-(4-HYDROXYPHENYL)LACTATEPARA-HYDROXYPHENYLLACTICACID2-Hydroxy-3-(4-hydroxyphenyl)3-(4-hydroxyphenyl)lacticacid3-(p-hydroxyphenyl)-lacticaci
CHEBI:17385(+-)-3-(4-Hydroxyphenyl)lactic acidRefChem:390667para-hydroxyphenyllactic acid2-Hydroxy-3-(4-hydroxyphenyl)propanoic acidHydroxyphenyllactic aciddl-p-Hydroxyphenyllactic acidDL-4-Hydroxyphenyllactic Acid
Datenbank-Bezeichner
- CAS
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,3
- Polarare Oberfläche (TPSA)
- 77,8 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 172
Experimentelle und physikochemische Eigenschaften
Solubility12.9 mg/mL at 16 °C
Physical DescriptionSolid
Collision Cross Section
144.2 Ų [M+Na]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
139.4 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
144 Ų [M+Na]+
Physikochemische Eigenschaften
- Schmelzpunkt
- 140 °C · 140 °C(Solv: water (7732-18-5))
- Siedepunkt
- 275.56 °C · 275.56°C (rough estimate)
- Dichte
- 1.2481 · 1.2481 (rough estimate)
- Brechungsindex
- 1.4345 · 1.4345 (estimate)
- storage temp.
- 4 °C, · 4°C, away from moisture and light
- Löslichkeit
- 25 mg/ml; · DMF: 25 mg/ml; DMSO: 25 mg/ml; Ethanol: 25 mg/ml
- pka
- 3.8 · 3.80±0.10(Predicted)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 2918.29.7500
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Pharmakologische Informationen
Tissue LocationsEpidermis
Cellular LocationsMitochondria
Anwendungen
VerwendenDL-p-Hydroxyphenyllactic Acid is used as a reagent in the synthesis of 2-O-(4-coumaroyl)-3-(4-hydroxyphenyl)lactic acid, an important intermediate of rosmarinic acid biosynthesis.
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陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
陕西科贝莱药物研发有限公司13119135307 13119135307 · [email protected]
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
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