CAS 19676-64-3 2,3,4-Trimethoxyphenol (HCID 603577)

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Basic information

CAS: 19676-64-3
Standard SMILES: COc1ccc(O)c(OC)c1OC
InChIKey: OLUNIGWWQYXBJA-UHFFFAOYSA-N
Molecular formula: C9H12O4
Average molar mass: 184.19 g/mol
Monoisotopic mass: 184.07355886

Names & identifiers

Preferred name: 2,3,4-Trimethoxyphenol
IUPAC: 2,3,4-trimethoxyphenol
English name: 2,3,4-Trimethoxyphenol
Molecular formula: C9H12O4
Molecular weight: 184.19

Names & synonyms

2,3,4-Trimethoxyphenol19676-64-3Phenol, 2,3,4-trimethoxy-DTXSID60345308RefChem:81331DTXCID20296382971-153-7OLUNIGWWQYXBJA-UHFFFAOYSA-NtrimethoxyphenolMFCD00068804Phenol, trimethoxy-SCHEMBL1402414

Show more names

2,3,4-Trimethoxyphen

AKOS006275701DS-17154CS-0101481O10561EN300-1847274BB 0254267FT-0677515A880072

Database identifiers

CAS: 19676-64-3
PubChem CID: 603577
DTXSID: DTXSID60345308
EC Number: 971-153-7
Nikkaji: J141.504B

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 47.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 151

Physicochemical properties

Melting point: 44.5 °C · 44.5 °C
Boiling point: 150 · 150-155 °C(Press: 2.5 Torr)
Density: 1.152 · 1.152±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
pka: 10.1 · 10.10±0.23(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Hazard Codes: Xi
HazardClass: IRRITANT
HS Code: 2909500090 · 2909500090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.