1-Methoxy-3,5-dimethylbenzene

C₉H₁₂OCAS 874-63-5136.19 g/mol

Open in Covalent MOL file

Ether

Properties

Molecular formula: C₉H₁₂O
Molar mass: 136.19 g/mol
Exact mass: 136.0888 Da
Boiling point: 194 °C
logP: 2.31Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Danger

H227 Combustible liquid50% of notifiers
H301 Toxic if swallowed50% of notifiers
H311 Toxic in contact with skin50% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H331 Toxic if inhaled50% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P370+P378, P403, P403+P233, P405, P501

Identifiers

CAS number

874-63-5

SMILES

COc1cc(C)cc(C)c1

InChIKey

JCHJBEZBHANKGA-UHFFFAOYSA-N

InChI

InChI=1S/C9H12O/c1-7-4-8(2)6-9(5-7)10-3/h4-6H,1-3H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names

Benzene, 1-methoxy-3,5-dimethyl-
Anisole, 3,5-dimethyl-
3,5-Dimethylanisole
5-Methoxy-m-xylene
5-Methoxy-1,3-dimethylbenzene
NSC 406910
3,5-Dimethylphenyl methyl ether

Work with 1-Methoxy-3,5-dimethylbenzene

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3,5-Dimethoxytoluene4179-19-589 % similar 1-Bromo-3-methoxy-5-methylbenzene29578-83-467 % similar 3-Methoxy-5-methylphenol3209-13-067 % similar 1,3,5-Trimethoxybenzene621-23-861 % similar 3-Methylanisole100-84-558 % similar 4-Methylanisole104-93-855 % similar Mesitylene108-67-853 % similar 3,4,5-Trimethoxytoluene6443-69-250 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,6-Dimethylanisole1004-66-6 2-Phenyl-1-propanol1123-85-9 Benzenepropanol122-97-4 2,3-Dimethylbenzenemethanol13651-14-4 1-Phenyl-2-propanol14898-87-4 1-Ethyl-4-methoxybenzene1515-95-3 (S)-1-Phenyl-2-propanol1517-68-6 (+)-1-Phenyl-1-propanol1565-74-8

Elsewhere

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