Benzoic acid, 2-(carboxymethoxy)-

HCID 69461CAS 635-53-0

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Basic information

Standard SMILES: O=C(O)COc1ccccc1C(=O)O
InChIKey: JLLXSRLEXBECPY-UHFFFAOYSA-N
Molecular formula: C9H8O5
Average molar mass: 196.16 g/mol
Monoisotopic mass: 196.03717335

Names & identifiers

Preferred name: Benzoic acid, 2-(carboxymethoxy)-
IUPAC: 2-(carboxymethoxy)benzoic acid
English name: 2-(Carboxymethoxy)benzoic acid
Molecular formula: C9H8O5
Molecular weight: 196.16

Names & synonyms

2-(Carboxymethoxy)benzoic acid635-53-0Benzoic acid, 2-(carboxymethoxy)-(o-Carboxyphenoxy)acetic acido-(Carboxymethoxy)benzoic acidAcetic acid, (o-carboxyphenoxy)-Acetic acid, (2-carboxyphenoxy)-o-Anisic acid, alpha-carboxy-AI3-16490NSC 1335BRN 2109705DTXSID3060904

Show more names

AKOS AU36-M510RARECHEM AL BE 0027LABOTEST-BB LT00847879salicylic-O-acetic acid2-Carboxyphenoxyacetic acid2-(carboxymethoxy)-benzoicacio-carboxylmethoxy benzoic acid

4-10-00-00140 (Beilstein Handbook Reference)RefChem:118326DTXCID8043941o-Anisic acid, alpha-carboxy-(8CI)Salicylacetic acidMFCD0002175492GVS42KUYNSC1335

Database identifiers

CAS: 635-53-0
PubChem CID: 69461
DTXSID: DTXSID3060904
UNII: 92GVS42KUY
EC Number: 676-810-9
Nikkaji: J135.616J

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 83.8 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 4
Heavy atoms: 14
Formal charge: 0
Complexity: 225

Physicochemical properties

Melting point: 188 · 188-190°C
Boiling point: 411.9 · 411.9±20.0 °C(Predicted)
Density: 1.43 · 1.430±0.06 g/cm3(Predicted)
pka: 3.04 · 3.04±0.10(Predicted)
BRN: 2109705 · 2109705
CAS DataBase Reference: 635 · 635-53-0(CAS DataBase Reference)
FDA UNII: 92 GVS42KUY · 92GVS42KUY
EPA Substance Registry System: 2 · Benzoic acid, 2-(carboxymethoxy)- (635-53-0)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P271-P280
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
RTECS: 4975370 · DG4975370
TSCA: TSCA listed
HS Code: 2918999090 · 2918999090

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 (100%): 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 4 reports by companies from 1 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.