2,5-Dimethylhydroquinone

HCID 69211CAS 615-90-7

Substructure search Find similar structures

Basic information

Standard SMILES: Cc1cc(O)c(C)cc1O
InChIKey: GPASWZHHWPVSRG-UHFFFAOYSA-N
Molecular formula: C8H10O2
Average molar mass: 138.16 g/mol
Monoisotopic mass: 138.06807956

Names & identifiers

Preferred name: 2,5-Dimethylhydroquinone
IUPAC: 2,5-dimethylbenzene-1,4-diol
English name: 2,5-dimethylhydroquinone
Molecular formula: C8H10O2
Molecular weight: 138.16

Names & synonyms

2,5-Dimethylhydroquinone615-90-71,4-Benzenediol, 2,5-dimethyl-FK3M8O9X4UNSC-401090DTXSID90210479RefChem:1060122DTXCID40132970210-452-22,5-dimethylbenzene-1,4-diolPhen-1,4-diol, 3,6-dimethyl-MFCD00053305

Show more names

2,5-DI-METHYL-HYDROQUINOL2,5-Dimethylhydroquinone, 95%+1,4-dihydroxy-2,5-dimethylbenzene2,5-dimethylbenzene-1,4-diol - [D73412]2,5-Dimethylhydroquinone CAS NO.615-90-7

Hydrophloronp-Xylene-2,5-diolUNII-FK3M8O9X4UEINECS 210-452-2NSC401090AI3-61027SCHEMBL70123GPASWZHHWPVSRG-UHFFFAOYA

Database identifiers

CAS: 615-90-7
PubChem CID: 69211
DTXSID: DTXSID90210479
ChEMBL: CHEMBL1795408
UNII: FK3M8O9X4U
EC Number: 210-452-2
Nikkaji: J7.031I

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 40.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 99.8

Experimental & physicochemical properties

SpringerMaterials PropertiesBoiling point

Physicochemical properties

Melting point: 212 · 212-215 °C
Boiling point: 193.57 °C · 193.57°C (rough estimate)
Density: 1.034 · 1.0340 (rough estimate)
refractive index: 1.4698 · 1.4698 (estimate)
pka: 10.85 · 10.85±0.23(Predicted)
FDA UNII: 3 M8O9X4U · FK3M8O9X4U

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P264+P265, P271, P272, P273, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P333+P317, P362+P364, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1A (100%)

Chemistry & industry

Applications · 1 item

Uses2,5-Dimethylbenzene-1,4-diol is an intermediate used in the synthesis of β-Tocopherol (Racemic Mixture) (T625170), which is one of the naturally occurring forms of Vitamins E and is biologically less active than α-Tocopherol. This is the racemic mixture of all stereoisomers.