o-Hydroxyphenylessigsure

(2-Hydroxyphenyl)acetic acid

HCID 11970CAS 614-75-5
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Grundinformationen

Standard-SMILES
O=C(O)Cc1ccccc1O
InChIKey
CCVYRRGZDBSHFU-UHFFFAOYSA-N
Summenformel
C8H8O3
Durchschnittliche Molmasse
152,15 g/mol
Monoisotopische Masse
152,04734411

Namen und Bezeichner

Bevorzugter Name
(2-Hydroxyphenyl)acetic acid
IUPAC
2-(2-hydroxyphenyl)acetic acid
Lokaler Name
o-Hydroxyphenylessigsure
Englischer Name
2-Hydroxyphenylacetic acid
Summenformel
C8H8O3
Molmasse
152.15

Namen und Synonyme

2-Hydroxyphenylacetic acid614-75-5(2-Hydroxyphenyl)acetic acid2-Hydroxybenzeneacetic acidBenzeneacetic acid, 2-hydroxy-(o-Hydroxyphenyl)acetic acidAcetic acid, (o-hydroxyphenyl)-UK3R9Q59AVDTXSID1060633NSC-62000CHEBI:28478o-hydroxyphenyl acetic acid
Weitere Namen anzeigen
Glycopyrronium Bromide EP Impurity C2-HPAANSC 620006-APA Impurity 6Valine Impurity 732-Hydroxyphenlacetichydroxyphenylacetateo-Hydroxyphenylacetic2-hydroxyphenylacetate
alpha-hydroxy phenylacetic acidRefChem:905769DTXCID3043025210-393-2(2R)-2-oxidanyl-2-phenyl-ethanoic acid2-(2-hydroxyphenyl)acetic acidO-HYDROXYPHENYLACETIC ACIDortho-Hydroxyphenylacetic acid

Datenbank-Bezeichner

CAS
614-75-5
PubChem CID
11970
DTXSID
DTXSID1060633
ChEMBL
CHEMBL240714
ChEBI
CHEBI:28478
UNII
UK3R9Q59AV
EC Number
210-393-2
Nikkaji
J27.607C

Eigenschaften

Berechnete Struktureigenschaften

XLogP
0,9
Polarare Oberfläche (TPSA)
57,5 Ų
H-Brücken-Donoren
2
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
2
Schwere Atome
11

Experimentelle und physikochemische Eigenschaften

LogP0.85
Solubility44 mg/mL
Melting Point145 - 147 °C
Vapor Pressure0.0000555 [mmHg]
Physical Description · 2 Einträge

Beige powder; [Sigma-Aldrich MSDS]

Solid

Collision Cross Section · 2 Einträge

130.1 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]

130.7 Ų [M-H]-

Physikochemische Eigenschaften

Schmelzpunkt
145 · 145-147 °C (lit.)
Siedepunkt
240 °C · 240°C (estimate)
Dichte
1.2143 · 1.2143 (rough estimate)
Brechungsindex
1.4945 · 1.4945 (estimate)
storage temp.
Sealed in dry,Room Temperature
Löslichkeit
Methanol, Water

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (98.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 75 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Regulatory InformationChemical: Benzeneacetic acid, 2-hydroxy-
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazards SummaryAn irritant that may cause tissue destruction and serious eye injury on prolonged or repeated exposure; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (98.7%)

Toxikologische Informationen

Adverse EffectsDermatotoxin - Skin burns.

Regulatorische Informationen

Regulatory InformationChemical: Benzeneacetic acid, 2-hydroxy-

Sicherheitsdaten

F
10-23
wgk
3
tsca
TSCA listed
hs_code
29182990
risk_code
36/37/38
hazard_code
Xi

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationBenzeneacetic acid, 2-hydroxy-: ACTIVE

Anwendungen

Verwenden2-Hydroxyphenylacetic Acid is an intermediate in the synthesis of atenolol and 3,4-dihydroxyphenylacetic acid.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [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]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
Ergänzende Hinweise · 1 Eintrag

DefinitionChEBI: A hydroxy monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is substituted by a 2-hydroxyphenyl group. It is a metabolite of phenylalanine and is excreted in the urine of patients suffering from diseases like phenylketonuria.

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