CAS 20469-61-8 2,3,5-Trimethylanisole (HCID 88555)

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Basic information

CAS: 20469-61-8
Standard SMILES: COc1cc(C)cc(C)c1C
InChIKey: AWONIZVBKXHWJP-UHFFFAOYSA-N
Molecular formula: C10H14O
Average molar mass: 150.22 g/mol
Monoisotopic mass: 150.10446507

Names & identifiers

Preferred name: 2,3,5-Trimethylanisole
IUPAC: 1-methoxy-2,3,5-trimethylbenzene
English name: 2,3,5-TRIMETHYLANISOLE
Molecular formula: C10H14O
Molecular weight: 150.22

Names & synonyms

2,3,5-Trimethylanisole1-Methoxy-2,3,5-trimethylbenzene20469-61-8Benzene, 1-methoxy-2,3,5-trimethyl-O4G1J78BTBEINECS 243-843-1DTXSID90174441RefChem:441840DTXCID0096932243-843-1MFCD00142783Anisole, 2,3,5-trimethyl

Show more names

Trimethylanisole2,3,5-TRIMETHYLANISOLE 99%2,3,5-Trimethylanisole,99%1-METHOXY-2,3,5-TRIMETHYL-BENZENE

Acitretin Impurity 42,3,5-Trimethylanizole2,3,5-Trimethyl anisoleUNII-O4G1J78BTBSCHEMBL203782SCHEMBL415962orb3023276SCHEMBL7921242

Database identifiers

CAS: 20469-61-8
PubChem CID: 88555
DTXSID: DTXSID90174441
UNII: O4G1J78BTB
EC Number: 243-843-1
Nikkaji: J280.603G

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 122

Physicochemical properties

Boiling point: 213 · 213-216 °C
Density: 0.97 · 0.97
refractive index: 1.518 · 1.518-1.52
storage temp.: Sealed in dry,Room Temperature
solubility: Chloroform, Dichloromethane, Tetrahydrofuran
form: Oil
color: Colourless
LogP: 3.51 · 3.510 (est)
CAS DataBase Reference: 20469 · 20469-61-8(CAS DataBase Reference)
FDA UNII: 4 G1J78BTB · O4G1J78BTB
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Safety Statements: 24 · 24/25
Hazard Note: Irritant

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 3 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.