4-Hydroxy-3,5-dimethoxyphenylacetic acid (HCID 78093)

Names & identifiers

Preferred name: 4-Hydroxy-3,5-dimethoxyphenylacetic acid
IUPAC: 2-(4-hydroxy-3,5-dimethoxyphenyl)acetic acid
English name: 3,5-DIMETHOXY-4-HYDROXYPHENYLACETIC ACID
Molecular formula: C10H12O5
Molecular weight: 212.2

Names & synonyms

4385-56-23,5-Dimethoxy-4-hydroxyphenylacetic acid4-Hydroxy-3,5-dimethoxyphenylacetic acidEINECS 224-494-4DTXSID60195961RefChem:523786DTXCID00118452224-494-42-(4-hydroxy-3,5-dimethoxyphenyl)acetic acidHomosyringic acid(4-Hydroxy-3,5-dimethoxyphenyl)acetic acidMFCD00016834

Show more names

SKL313RARECHEM AL BO 05934-Hydroxy-3,5-dimethoxyphenylaceticAcid>(4-Hydroxy-3,5-dimethoxyphenyl)acetic acid3,5-Dimethoxy-4-hydroxyphenylacetic acid 97%

Benzeneacetic acid, 4-hydroxy-3,5-dimethoxy-4-Hydroxy-3,5-dimethoxybenzeneacetic acidPF87DAP3MKSCHEMBL1278855AKOS015851338FD55017FS-5121DB-022074

Database identifiers

CAS: 4385-56-2
PubChem CID: 78093
DTXSID: DTXSID60195961
UNII: PF87DAP3MK
EC Number: 224-494-4
Nikkaji: J13.629H

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 76 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 4
Heavy atoms: 15
Formal charge: 0
Complexity: 204

Physicochemical properties

Melting point: 127 · 127-131 °C (lit.)
Boiling point: 397.1 · 397.1±37.0 °C(Predicted)
Density: 1.299 · 1.299±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
form: powder to crystal
pka: 4.29 · 4.29±0.10(Predicted)
color: White to Orange to Green
InChI: 1S/C10H12O5/c1-14-7-3-6(5-9(11)12)4-8(15-2)10(7)13/h3-4,13H,5H2,1-2H3,(H,11,12)
InChIKey: BQBQKSSTFGCRQL-UHFFFAOYSA-N
SMILES: COc1cc(CC(O)=O)cc(OC)c1O
CAS DataBase Reference: 4385 · 4385-56-2(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H319
Precautionary statements: 264 · P264-P270-P280-P301+P312-P305+P351+P338-P337+P313
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xn
Risk Statements: 22 · 22-36
Safety Statements: 26 · 26-36/37
WGK Germany: 3 · 3
HS Code: 2918999090 · 2918999090
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Irrit. 2

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (87%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (13%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (10.9%): 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+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 4 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.