2,6-Dimethyl-1,4-benzoquinone

HCID 68241
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Basic information

CAS
527-61-7
Standard SMILES
CC1=CC(=O)C=C(C)C1=O
InChIKey
SENUUPBBLQWHMF-UHFFFAOYSA-N
Molecular formula
C8H8O2
Average molar mass
136.15 g/mol
Monoisotopic mass
136.0524295

Names & identifiers

Preferred name
2,6-Dimethyl-1,4-benzoquinone
IUPAC
2,6-dimethylcyclohexa-2,5-diene-1,4-dione
English name
2,6-Dimethylbenzoquinone
Molecular formula
C8H8O2
Molecular weight
136.15

Names & synonyms

2,6-Dimethylbenzoquinone527-61-72,6-Dimethyl-1,4-benzoquinonem-Xyloquinone2,6-Xyloquinone3,5-Dimethylbenzoquinonep-Benzoquinone, 2,6-dimethyl-HET5TF8ZGODTXSID00200664NSC-175492,6-DMBQRefChem:908892
Show more names
2,6-DIMETHYL-2,5-CYCLOHEXADIENE-1,4-DIONE2,6-DIMETHYL-P-QUINONEm-Xylo-p-quinone2,6-DIMETHYLBENZOQUIDimethylpbenzoquinone
DTXCID30123155208-420-82,6-dimethylcyclohexa-2,5-diene-1,4-dione2,6-Dimethyl-p-benzoquinone2,6-Dimethylquinone2,5-Cyclohexadiene-1,4-dione, 2,6-dimethyl-2,6-Dimethyl-1,4-quinone2,6-Dimethylbenzo-1,4-quinone

Database identifiers

CAS
527-61-7
PubChem CID
68241
DTXSID
DTXSID00200664
ChEMBL
CHEMBL150643
UNII
HET5TF8ZGO
EC Number
208-420-8
Nikkaji
J101.207J

Properties

Computed structural properties

XLogP
1.2
Topological polar surface area
34.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
10

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift
LogP0.95

Physicochemical properties

Melting point
71 · 71-73 °C(lit.)
Boiling point
201 ℃ · 201℃
Density
1.115 · 1.115
refractive index
1 · 1.
Flash point
71 ℃ · 71℃
form
Needle-Like Crystalline Solid

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (83.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationChemical: 2,5-Cyclohexadiene-1,4-dione, 2,6-dimethyl-
Hazard Classes and CategoriesAcute Tox. 4 (83.3%)

Safety data

PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
rtecs
DK4825000
hs_code
29146990
risk_code
36/37/38
Signal word
Warning

Chemistry & industry

Applications

Uses2,6-Dimethyl-p-benzoquinone is used as organic intermediates.

Preparation methods

Preparation2,6-Dimethylphenol was oxidized with O2 in the presence of Cu(I) or Cu(II) compounds. The amount of Cu compound was between 0.01 and 0.02 molar equivalents (mol-eq).

Upstream & downstream products

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
镇江迪艾生物科技有限公司18912101619
INTATRADE GmbH+49 3493/605464 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]

Related reactions

13 records
New reaction record

Compound notes

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