Basic information
- CAS
1623076-33-4- Standard SMILES
C/C(=C\CO)C(C)C- InChIKey
UFZFIJQVBUIVBK-QPJJXVBHSA-N- Molecular formula
- C7H14O
- Average molar mass
- 114.19 g/mol
- Monoisotopic mass
- 114.10446507
Names & identifiers
- Preferred name
- 3,4-Dimethylpent-2-en-1-ol
- IUPAC
- (E)-3,4-dimethylpent-2-en-1-ol
Names & synonyms
3,4-Dimethylpent-2-en-1-ol1623076-33-4RefChem:486369822-666-9(E)-3,4-dimethylpent-2-en-1-olSCHEMBL8998602SCHEMBL10399841UFZFIJQVBUIVBK-QPJJXVBHSA-N(2E)-3,4-Dimethyl-2-penten-1-ol #EN300-365161Z1896171007
Database identifiers
- CAS
1623076-33-4- PubChem CID
- 5366252
- EC Number
- 822-666-9
- Nikkaji
- J2.726.812I
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 82.4
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)
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
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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