Basic information
- CAS
19353-21-0- Standard SMILES
CC(C)C(C)CC=O- InChIKey
SZBNDYYJXRXQHA-UHFFFAOYSA-N- Molecular formula
- C7H14O
- Average molar mass
- 114.19 g/mol
- Monoisotopic mass
- 114.10446507
Names & identifiers
- Preferred name
- 3,4-Dimethylpentanal
- IUPAC
- 3,4-dimethylpentanal
- English name
- 3,4-dimethylvaleraldehyde
- Molecular formula
- C7H14O
- Molecular weight
- 114.19
Names & synonyms
3,4-Dimethylpentanal3,4-DimethylvaleraldehydeEINECS 242-983-0DTXSID90941034RefChem:486371DTXCID70970786242-983-019353-21-0Pentanal, 3,4-dimethyl-3,4-Dimethyl-pentanalSCHEMBL270893SCHEMBL270894
Show more names
SCHEMBL27725931NS00053773
Database identifiers
- CAS
19353-21-0- PubChem CID
- 86855
- DTXSID
DTXSID90941034- EC Number
- 242-983-0
- Nikkaji
- J242.779F
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
- 8
- Formal charge
- 0
- Complexity
- 66.8
Physicochemical properties
- Boiling point
- 67 °C · 67 °C(Press: 70 Torr)
- Density
- 0.8226 g/cm3 · 0.8226 g/cm3(Temp: 425 °C)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
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
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Related reactions
1 records
Compound notes
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