Basic information
- CAS
4584-63-8- Standard SMILES
CCC(C)(C)C1=CC(=O)C(C(C)(C)CC)=CC1=O- InChIKey
DHXFOYLEDAOQRR-UHFFFAOYSA-N- Molecular formula
- C16H24O2
- Average molar mass
- 248.36 g/mol
- Monoisotopic mass
- 248.17763
Names & identifiers
- Preferred name
- 2,5-Bis(1,1-dimethylpropyl)-2,5-cyclohexadiene-1,4-dione
- IUPAC
- 2,5-bis(2-methylbutan-2-yl)cyclohexa-2,5-diene-1,4-dione
- English name
- 2,5-Di-tert-amylbenzoquinone
- Molecular formula
- C16H24O2
- Molecular weight
- 248.36
Names & synonyms
4584-63-82,5-Bis(1,1-dimethylpropyl)-2,5-cyclohexadiene-1,4-dioneRefChem:10600342,5-Di-tert-amylbenzoquinone2,5-Di-tert-amylquinone2,5-Di-tert-pentylcyclohexa-2,5-diene-1,4-dione2,5-Di-tert-pentyl-1,4-benzoquinone2,5-bis(2-methylbutan-2-yl)cyclohexa-2,5-diene-1,4-dione2,5-Di-t-amyl-p-benzoquinoneDAQMFCD00142843p-Benzoquinone, 2,5-di-tert-pentyl-
Show more names
Diamylbenzoquinone2,5-ditert-amyl-p-benzoquinone2,5-Di-tert-amylbenzoquinone>2,5-Di-tert-pentyl-p-benzoquinone
NSC 1245092,5-di-t-pentyl-1,4-benzoquinone2,5-Cyclohexadiene-1,4-dione, 2,5-bis(1,1-dimethylpropyl)-CS-0186514T709382,1-dimethylpropyl)-2,5-cyclohexadiene-1,4-dione2,5-BIS-(1,1-DIMETHYL-PROPYL)-(1,4)BENZOQUINONE2,5-Di-tert-pentyl-p-benzoquinone
Database identifiers
- CAS
4584-63-8- PubChem CID
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 392
Physicochemical properties
- Melting point
- 137 °C · 137 °C
- Boiling point
- 319.6 · 319.6±17.0 °C(Predicted)
- Density
- 1.003 · 1.003±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- form
- powder to crystal
- color
- Light yellow to Brown
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
- HS Code
- 2914.69 · 2914.69.9000
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2914.69.9000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers38 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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