Basic information
- CAS
39161-19-8- Standard SMILES
CC=CCCO- InChIKey
FSUXYWPILZJGCC-UHFFFAOYSA-N- Molecular formula
- C5H10O
- Average molar mass
- 86.13 g/mol
- Monoisotopic mass
- 86.07316494
Overview
pent-3-en-1-ol has been reported in Opuntia ficus-indica with data available.
Names & identifiers
- Preferred name
- 3-Penten-1-ol
- IUPAC
- pent-3-en-1-ol
- English name
- 3-PENTENOL-1
- Molecular formula
- C5H10O
- Molecular weight
- 86.13
Names & synonyms
3-Penten-1-ol39161-19-8RefChem:1068451609-614-9pent-3-en-1-ol(z)-3-penten-1-olMethylallylcarbinolSCHEMBL96834SCHEMBL96835SCHEMBL1276030SCHEMBL6904190SCHEMBL7364556
Show more names
3-PENTENOL-1
SCHEMBL15561507DTXSID70959955AAA76437
Database identifiers
- CAS
39161-19-8- PubChem CID
- 69814
- DTXSID
DTXSID70959955- EC Number
- 609-614-9
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 39.2
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Flavoring AgentsEU Flavoring substances
Physicochemical properties
- Boiling point
- 53.2 · 53.2-53.7 °C
- Density
- 0.841 g/cm3 · 0.8410 g/cm3
- FLAVIS Number
- 2.222 · 02.222 | 3-Pentenol-1
- pka
- 15.04 · 15.04±0.10(Predicted)
- LogP
- 1.08 · 1.080 (est)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Chemistry & industry
Suppliers1 total
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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