Basic information
- CAS
2109-98-0- Standard SMILES
CC(C)C(C)C=O- InChIKey
AKUUEDVRXOZTBF-UHFFFAOYSA-N- Molecular formula
- C6H12O
- Average molar mass
- 100.16 g/mol
- Monoisotopic mass
- 100.088815
Names & identifiers
- Preferred name
- 2,3-Dimethylbutanal
- IUPAC
- 2,3-dimethylbutanal
- English name
- 2,3-dimethylbutyraldehyde
- Molecular formula
- C6H12O
- Molecular weight
- 100.16
Names & synonyms
2,3-dimethylbutanal2109-98-02,3-DimethylbutyraldehydeN894GVU9QCDTXSID80943401RefChem:1059475DTXCID901371770218-299-3Butanal, 2,3-dimethyl-SCHEMBL79570SCHEMBL269360Butyraldehyde, 2,3-dimethyl-
Show more names
(+/-)-2,3-DimethylbutanalSCHEMBL9022326SCHEMBL21708257SCHEMBL280192122,3-DIMETHYL-BUTYRALDEHYDEEINECS 218-299-3MFCD18642276AKOS013350275
Database identifiers
- CAS
2109-98-0- PubChem CID
- 102752
- DTXSID
DTXSID80943401- UNII
- N894GVU9QC
- EC Number
- 218-299-3
- Nikkaji
- J298.702C
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 57.2
Physicochemical properties
- Melting point
- -72.5 °C · -72.5°C (estimate)
- Boiling point
- 117.63 °C · 117.63°C (estimate)
- Density
- 0.8079 · 0.8079 (estimate)
- refractive index
- 1.4062 · 1.4062 (estimate)
- 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
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+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. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers3 total
武汉布林科技有限公司3456065315 13260619011 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
Related reactions
1 records
Compound notes
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