2-Methyl-4-penten-1-ol
Basic information
- CAS
5673-98-3- Standard SMILES
C=CCC(C)CO- InChIKey
CTHUAOGQNZSMMC-UHFFFAOYSA-N- Molecular formula
- C6H12O
- Average molar mass
- 100.16 g/mol
- Monoisotopic mass
- 100.088815
Names & identifiers
- Preferred name
- 2-Methyl-4-penten-1-ol
- IUPAC
- 2-methylpent-4-en-1-ol
- English name
- 2-Methyl-4-penten-1-ol
- Molecular formula
- C6H12O
- Molecular weight
- 100.16
Names & synonyms
2-Methyl-4-penten-1-ol5673-98-3DTXSID60336519RefChem:1063740DTXCID102876082-methylpent-4-en-1-ol4-Penten-1-ol, 2-methyl-MFCD193006502-methyl-4-pentenolstarbld00390152-methyl-pent-4-en-1-olSCHEMBL719220
Show more names
SCHEMBL7192212-Methyl-4-penten-1-ol #SCHEMBL5155678CTHUAOGQNZSMMC-UHFFFAOYSA-2-Methyl-4-penten-1-ol 5673-98-3G55676EN300-2914005InChI=1/C6H12O/c1-3-4-6(2)5-7/h3,6-7H,1,4-5H2,2H3
Database identifiers
- CAS
5673-98-3- PubChem CID
- 534258
- DTXSID
DTXSID60336519- EC Number
- 171-218-2
- Nikkaji
- J144.958C
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 50.1
Physicochemical properties
- Melting point
- 22.55 °C · 22.55°C (estimate)
- Boiling point
- 152.63 °C · 152.63°C (estimate)
- Density
- 0.8489 · 0.8489 (estimate)
- refractive index
- 1.4289 · 1.4289 (estimate)
- pka
- 14.99 · 14.99±0.10(Predicted)
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%)
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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