Basic information
- CAS
38284-27-4- Standard SMILES
CCC=CC=CC(C)=O- InChIKey
LWRKMRFJEUFXIB-UHFFFAOYSA-N- Molecular formula
- C8H12O
- Average molar mass
- 124.18 g/mol
- Monoisotopic mass
- 124.088815
Names & identifiers
- Preferred name
- Octa-3,5-dien-2-one
- IUPAC
- octa-3,5-dien-2-one
- English name
- 3,5-octadienone,3,5-octadien-2-one
- Molecular formula
- C8H12O
- Molecular weight
- 124.18
Names & synonyms
Octa-3,5-dien-2-oneDTXSID70865527RefChem:366620DTXCID10813926829-161-2octadien-2-one3,5-octadiene-2-one3,5-OCTANDIENONE78468-46-9SCHEMBL309596(Z,Z)-3,5-octadien-2-oneLWRKMRFJEUFXIB-UHFFFAOYSA-N
Show more names
(3E,5E)-octa-3,5-dien-2-one3,5-octadienone,3,5-octadien-2-one
108793-59-5NS00123332
Database identifiers
- CAS
38284-27-4- PubChem CID
- 181575
- DTXSID
DTXSID70865527- EC Number
- 829-161-2
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 132
Physicochemical properties
- Boiling point
- 84 · 84-85 °C(Press: 16 Torr)
- Density
- 0.87 g/cm3 · 0.87 g/cm3(Temp: 24 °C)
- Odor
- 1 % · at 1.00 % in dipropylene glycol. fruity fatty mushroom
- Odor Type
- fatty
- LogP
- 1.64 · 1.640 (est)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 227 · H227-H302-H315-H335-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P210-P280-P370+P378-P403+P235-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
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
H227 (100%): Combustible liquid [Warning Flammable liquids]
P210, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Hazard Classes and CategoriesFlam. Liq. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H227-H302-H315-H335-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P210-P280-P370+P378-P403+P235-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers2 total
Syntechem Co.,Ltd[email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
Additional notes
DefinitionChEBI: Trans, trans-3,5-Octadien-2-one is an enone.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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