Benzene, 2-methoxy-1,3,5-trimethyl-
Basic information
- CAS
4028-66-4- Standard SMILES
COc1c(C)cc(C)cc1C- InChIKey
NNVKEOMPDSKFGZ-UHFFFAOYSA-N- Molecular formula
- C10H14O
- Average molar mass
- 150.22 g/mol
- Monoisotopic mass
- 150.10446507
Names & identifiers
- Preferred name
- Benzene, 2-methoxy-1,3,5-trimethyl-
- IUPAC
- 2-methoxy-1,3,5-trimethylbenzene
- English name
- 2,4,6-TRIMETHYLANISOLE
- Molecular formula
- C10H14O
- Molecular weight
- 150.22
Names & synonyms
2,4,6-Trimethylanisole4028-66-4Benzene, 2-methoxy-1,3,5-trimethyl-MethoxymesityleneAnisole, 2,4,6-trimethyl-DTXSID20193266RefChem:323900DTXCID30115757NNVKEOMPDSKFGZ-UHFFFAOYSA-N2-Methoxy-1,3,5-trimethylbenzeneMFCD03092887SCHEMBL129762
Show more names
Methyl mesityl etherMesitylene methyl ether1,3,5-Trimethyl-2-methoxybenzeneMethyl 2,4,6-trimethylphenyl ether2-Methoxy-1,3,5-trimethylbenzene, Methyl 2,4,6-trimethylphenyl ether, 2-Methoxymesitylene
2-Methoxy-1,3,5-trimethylbenzene #AKOS026675633PS-8925CS-0210613246-TRIMETHYLANISOLESCHEMBL542689orb3023745SCHEMBL1047352
Database identifiers
- CAS
4028-66-4- PubChem CID
- 77648
- DTXSID
DTXSID20193266- Nikkaji
- J117.116J
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 110
Physicochemical properties
- storage temp.
- Store at room temperature
- form
- liquid
- color
- Colourless
- InChI
- InChI=1S/C10H14O/c1-7-5-8(2)10(11-4)9(3)6-7/h5-6H,1-4H3
- InChIKey
- NNVKEOMPDSKFGZ-UHFFFAOYSA-N
- SMILES
- C1(C)=CC(C)=CC(C)=C1OC
- LogP
- 3.682 · 3.682 (est)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 280 · P280-P271
- Hazard Codes
- Xi
- HS Code
- 2909309090 · 2909309090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2909309090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Precautionary statements
- P280-P271
Suppliers
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Related reactions
3 records
Compound notes
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