Basic information
- CAS
81250-41-1- Standard SMILES
CC(=O)C(C)(C)C=C=C(C)C- InChIKey
MMLSXKDAXYUEEL-UHFFFAOYSA-N- Molecular formula
- C10H16O
- Average molar mass
- 152.23 g/mol
- Monoisotopic mass
- 152.12011513
Names & identifiers
- Preferred name
- 4,5-Heptadien-2-one, 3,3,6-trimethyl-
- IUPAC
- 3,3,6-trimethylhepta-4,5-dien-2-one
- English name
- 4,5-Heptadien-2-one, 3,3,6-trimethyl-
- Molecular formula
- C10H16O
- Molecular weight
- 152.23344
Names & synonyms
81250-41-14,5-Heptadien-2-one, 3,3,6-trimethyl-DTXSID00342957RefChem:285580DTXCID90294037MMLSXKDAXYUEEL-UHFFFAOYSA-N3,3,6-trimethylhepta-4,5-dien-2-one3,3,6-Trimethyl-4,5-heptadien-2-oneGDA250413,3,6-Trimethyl-4,5-heptadien-2-one #EN300-1588864
Database identifiers
- CAS
81250-41-1- PubChem CID
- 586191
- DTXSID
DTXSID00342957- EC Number
- 993-903-2
- Nikkaji
- J1.239.875A
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 211
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
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, 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 CategoriesFlam. Liq. 3 (100%)
Chemistry & industry
Suppliers1 total
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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