CAS 614-75-5 (2-Hydroxyphenyl)acetic acid (HCID 11970)

Names & identifiers

Preferred name: (2-Hydroxyphenyl)acetic acid
IUPAC: 2-(2-hydroxyphenyl)acetic acid
English name: 2-Hydroxyphenylacetic acid
Molecular formula: C8H8O3
Molecular weight: 152.15

Names & synonyms

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

Show more names

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

Database identifiers

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

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 57.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 144

Experimental & physicochemical properties

LogP0.85

Solubility44 mg/mL

Melting Point145 - 147 °C

Vapor Pressure0.0000555 [mmHg]

Physical Description · 2 items

Beige powder; [Sigma-Aldrich MSDS]

Solid

Collision Cross Section · 2 items

130.1 Å² [M-H]- [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]

130.7 Å² [M-H]-

Physicochemical properties

Melting point: 145 · 145-147 °C (lit.)
Boiling point: 240 °C · 240°C (estimate)
Density: 1.2143 · 1.2143 (rough estimate)
refractive index: 1.4945 · 1.4945 (estimate)
storage temp.: Sealed in dry,Room Temperature
solubility: Methanol, Water
pka: 4.17 · 4.17±0.10(Predicted)
form: Crystalline Powder
color: Light pink to light brown
Water Solubility: Soluble in Methanol and Water.
BRN: 908000 · 908000
InChI: InChI=1S/C8H8O3/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4,9H,5H2,(H,10,11)
InChIKey: CCVYRRGZDBSHFU-UHFFFAOYSA-N
SMILES: C1(CC(O)=O)=CC=CC=C1O
CAS DataBase Reference: 614 · 614-75-5(CAS DataBase Reference)
FDA UNII: 3 R9Q59AV · UK3R9Q59AV
NIST Chemistry Reference: 2 · Benzeneacetic acid, 2-hydroxy-(614-75-5)
EPA Substance Registry System: 2 · 2-Hydroxyphenylacetic acid (614-75-5)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
F: 10 · 10-23
Hazard Note: Irritant
TSCA: TSCA listed
HS Code: 29182990 · 29182990
Storage Class: 13 · 13 - Non Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 5 items

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.

Hazard information

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%)

Toxicology

Adverse EffectsDermatotoxin - Skin burns.

Regulatory information

Regulatory InformationChemical: Benzeneacetic acid, 2-hydroxy-

Safety data

F: 10-23
wgk: 3
tsca: TSCA listed
hs_code: 29182990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36
Storage Class: 13 - Non Combustible Solids
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzeneacetic acid, 2-hydroxy-: ACTIVE

Applications

Uses2-Hydroxyphenylacetic Acid is an intermediate in the synthesis of atenolol and 3,4-dihydroxyphenylacetic acid.

Upstream & downstream products

Upstream raw materials

2-Chlorophenylacetic acid Copper quinolate

Downstream products

(2-Hydroxy-phenyl)-acetic acid methyl ester Vadimezan Fluoxastrobin 2-Aminophenylacetic acid

Suppliers100 total

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]

Additional notes · 1 item

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.