CAS 578-22-3 5-Hydroxy-2-methylbenzoic acid (HCID 235188)

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Basic information

CAS: 578-22-3
Standard SMILES: Cc1ccc(O)cc1C(=O)O
InChIKey: ZIOYQUNKXJQXQY-UHFFFAOYSA-N
Molecular formula: C8H8O3
Average molar mass: 152.15 g/mol
Monoisotopic mass: 152.04734411

Names & identifiers

Preferred name: 5-Hydroxy-2-methylbenzoic acid
IUPAC: 5-hydroxy-2-methylbenzoic acid
English name: 5-Hydroxy-2-methyl-benzoic acid
Molecular formula: C8H8O3
Molecular weight: 152.15

Names & synonyms

5-Hydroxy-2-methylbenzoic acid578-22-35,2-Cresotic acidBenzoic acid, 5-hydroxy-2-methyl-2-METHYL-5-HYDROXYBENZOIC ACIDQXF6B38ZRKNSC 36283NSC-36283NSC-96583UNII-QXF6B38ZRKDTXSID00206489RefChem:102764

Show more names

5-hydroxy-2-Methybenzoic acid5-Hydroxy-2-methylbenzoic acid 98%5-Hydroxy-2-methylbenzoic acid, 97%,

DTXCID50128980626-195-85-Hydroxy-2-methyl-benzoic acidMFCD098331845-HYDROXY-O-TOLUIC ACIDNSC36283NSC96583AC-504

Database identifiers

CAS: 578-22-3
PubChem CID: 235188
DTXSID: DTXSID00206489
UNII: QXF6B38ZRK
EC Number: 626-195-8
Nikkaji: J1.245.212H

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 57.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 155

Physicochemical properties

Melting point: 182 · 182-187 °C
Boiling point: 343.8 · 343.8±30.0 °C(Predicted)
Density: 1.304 · 1.304
storage temp.: 2 · 2-8°C
pka: 3.78 · 3.78±0.25(Predicted)
form: powder to crystal
color: White to Brown
Water Solubility: Slightly soluble in water.
InChI: 1S/C8H8O3/c1-5-2-3-6(9)4-7(5)8(10)11/h2-4,9H,1H3,(H,10,11)
InChIKey: ZIOYQUNKXJQXQY-UHFFFAOYSA-N
SMILES: Cc1ccc(O)cc1C(O)=O
FDA UNII: 6 B38ZRK · QXF6B38ZRK
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (97.6%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 5 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.