2,5-Dimethylresorcin
Properties
- Molecular formula
- C8H10O2
- Molar mass
- 138.17 g/mol
- Exact mass
- 138.0681 Da
- Melting point
- 163 °C
- Boiling point
- 278.5 °C
- logP
- 1.71Crippen estimate
- Polar surface area
- 40.5 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 0
Hazards
Danger
- H302 Harmful if swallowed95.2% of notifiers
- H312 Harmful in contact with skin95.2% of notifiers
- H314 Causes severe skin burns and eye damage97.6% of notifiers
- H332 Harmful if inhaled95.2% of notifiers
Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, P501
Identifiers
CAS number
488-87-9SMILES
Cc1cc(O)c(C)c(O)c1InChIKey
GHVHDYYKJYXFGU-UHFFFAOYSA-NInChI
InChI=1S/C8H10O2/c1-5-3-7(9)6(2)8(10)4-5/h3-4,9-10H,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
8 names
- 1,3-Benzenediol, 2,5-dimethyl-
- Resorcinol, 2,5-dimethyl-
- 2,5-Dimethyl-1,3-benzenediol
- β-Orcinol
- p-Xylorcinol
- 2,5-Dimethylresorcinol
- 4-Methylorcinol
- 2,5-Dimethyl-1,3-dihydroxybenzene
Work with 2,5-Dimethylresorcin
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
2,3,5-Trimethylphenol697-82-573 % similar
4-Methylcatechol452-86-852 % similar
2-Methylresorcinol608-25-350 % similar
2,5-Dimethylphenol95-87-448 % similar
2,3-Dimethylhydroquinone608-43-548 % similar
3,5-Dihydroxy-4-acetyltoluene1634-34-046 % similar
3,5-Dihydroxy-4-methylbenzoic acid28026-96-246 % similar
2,6-Dihydroxy-4-methylbenzoic acid480-67-146 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.