2,6-Dimethylanisole
Basic information
- CAS
1004-66-6- Standard SMILES
COc1c(C)cccc1C- InChIKey
GFNZJAUVJCGWLW-UHFFFAOYSA-N- Molecular formula
- C9H12O
- Average molar mass
- 136.19 g/mol
- Monoisotopic mass
- 136.088815
Names & identifiers
- Preferred name
- 2,6-Dimethylanisole
- IUPAC
- 2-methoxy-1,3-dimethylbenzene
- English name
- 2,6-Dimethylanisole
- Molecular formula
- C9H12O
- Molecular weight
- 136.19
Names & synonyms
2,6-Dimethylanisole1004-66-6Benzene, 2-methoxy-1,3-dimethyl-EINECS 213-723-3AI3-21152DTXSID40143248NSC 62672RefChem:83304DTXCID4065739213-723-3GFNZJAUVJCGWLW-UHFFFAOYSA-N2-Methoxy-1,3-dimethylbenzene
Show more names
2,6-dimethylether2,6-Dimethylanisone2,6-Dimethylanisole>2,6-Dimethylanisole 98%2,6-Dimethylanisole, 98 %1,3-DIMETHYL-2-METHOXYBEN2,6-Dimethylanisole, 98.50%
2-Methoxy-m-xyleneMFCD00008380NSC-626721,3-Dimethyl-2-methoxybenzene2-methoxy-1,3-dimethyl-benzeneNSC626722,6-dimethyl anisoleAnisole, 2,6-dimethyl-
Database identifiers
- CAS
1004-66-6- PubChem CID
- 66088
- DTXSID
DTXSID40143248- UNII
- L233KZC6NH
- EC Number
- 213-723-3
- Nikkaji
- J149.889D
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
- 10
- Formal charge
- 0
- Complexity
- 90.9
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP3.02
Physicochemical properties
- Boiling point
- 182 °C · 182 °C(lit.)
- Density
- 0.962 g/mL · 0.962 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.503(lit.)
- Flash point
- 153 °F · 153 °F
- storage temp.
- Sealed in dry,Room Temperature
- form
- liquid
- Specific Gravity
- 0.962 · 0.962
- Appearance
- Colorless to off-white Liquid
- Water Solubility
- Insoluble in water.
- BRN
- 1858509 · 1858509
- InChI
- 1S/C9H12O/c1-7-5-4-6-8(2)9(7)10-3/h4-6H,1-3H3
- InChIKey
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
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- NA 1993 / PGIII
- hs_code
- 29093090
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- safety_code
- 24/25
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H227
- Precautionary statements
- P210-P280-P370+P378-P403+P235-P501-P210e-P280a-P370+P378a-P501a
Chemistry & industry
Applications
Uses2,6-Dimethylanisole is used as a pharmaceutical intermediate. Methoxymetacyclophanes is prepared from 2,6-dimethylanisole.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
20 records
Compound notes
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