3,5-Dimethylhexanal
Basic information
- CAS
19796-88-4- Standard SMILES
CC(C)CC(C)CC=O- InChIKey
VWLITJGXNSANSN-UHFFFAOYSA-N- Molecular formula
- C8H16O
- Average molar mass
- 128.21 g/mol
- Monoisotopic mass
- 128.12011513
Overview
3,5-Dimethylhexanal is a saturated fatty aldehyde.
Names & identifiers
- Preferred name
- 3,5-Dimethylhexanal
- IUPAC
- 3,5-dimethylhexanal
- English name
- 3,5-dimethylhexanal
- Molecular formula
- C8H16O
- Molecular weight
- 128.21
Names & synonyms
3,5-Dimethylhexanal19796-88-4EINECS 243-321-3DTXSID20941608RefChem:91605DTXCID401370034243-321-3SCHEMBL1301652SCHEMBL7539723CHEBI:195852LMFA06000124MFCD24674319
Show more names
Hexanal, 3,5-dimethyl-
SY496166NS00046961
Database identifiers
- CAS
19796-88-4- PubChem CID
- 89226
- DTXSID
DTXSID20941608- ChEBI
CHEBI:195852- EC Number
- 243-321-3
- Nikkaji
- J225.282A
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 76.6
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty aldehydes [FA06]
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
2 records
Compound notes
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