Trimethylhydroquinone

C₉H₁₂O₂CAS 700-13-0152.19 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₁₂O₂
Molar mass: 152.19 g/mol
Exact mass: 152.0837 Da
Melting point: 170–171 °C
logP: 2.02Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0

Hazards

Danger

H315 Causes skin irritationSkin corrosion/irritation
H317 May cause an allergic skin reactionSensitization, Skin
H318 Causes serious eye damageSerious eye damage/eye irritation
H332 Harmful if inhaledAcute toxicity, inhalation
H335 May cause respiratory irritationSpecific target organ toxicity, single exposure; Respiratory tract irritation
H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
H410 Very toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 604-045-00-2), via PubChem.

Precautionary statements

P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P333+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

700-13-0

SMILES

Cc1cc(O)c(C)c(C)c1O

InChIKey

AUFZRCJENRSRLY-UHFFFAOYSA-N

InChI

InChI=1S/C9H12O2/c1-5-4-8(10)6(2)7(3)9(5)11/h4,10-11H,1-3H3

Weigh it out

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

Names and synonyms

11 names

1,4-Benzenediol, 2,3,5-trimethyl-
Hydroquinone, trimethyl-
2,3,5-Trimethyl-1,4-benzenediol
ψ-Cumohydroquinone
Pseudocumohydroquinone
Trimethyl-p-hydroquinone
2,3,5-Trimethylhydroquinone
1,4-Dihydroxy-2,3,5-trimethylbenzene
2,3,5-Trimethyl-1,4-hydroquinone
2,3,5-Trimethyl-p-hydroquinone
NSC 401617

Work with Trimethylhydroquinone

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,5-Dimethylhydroquinone615-90-752 % similar 2,3,6-Trimethylphenol2416-94-650 % similar 2,3,5-Trimethylphenol697-82-550 % similar 2,3-Dimethoxy-5-methyl-1,4-benzenediol3066-90-848 % similar 3,3',5,5'-Tetramethylbiphenyl-4,4'-diol2417-04-148 % similar 2,4-Dichloro-3,5-dimethylphenol133-53-947 % similar 2,5-Dimethylresorcin488-87-946 % similar Mesitol527-60-646 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-(4-Hydroxyphenyl)-1-propanol10210-17-0 Ketoisophorone1125-21-9 Benzaldehyde dimethyl acetal1125-88-8 2-(3-Methylphenoxy)ethanol13605-19-1 2-Phenyl-1,3-propanediol1570-95-2 (S)-1-(4-Methoxyphenyl)ethanol1572-97-0 Bicyclo[3.3.1]nonane-2,6-dione16473-11-3 (R)-(-)-2-Methoxy-2-phenylethanol17628-72-7

Elsewhere

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