Basic information
- CAS
22508-64-1- Standard SMILES
C=C(C)CCCO- InChIKey
LOFHPLKGPULNQP-UHFFFAOYSA-N- Molecular formula
- C6H12O
- Average molar mass
- 100.16 g/mol
- Monoisotopic mass
- 100.088815
Names & identifiers
- Preferred name
- 4-Methyl-4-penten-1-ol
- IUPAC
- 4-methylpent-4-en-1-ol
- English name
- 4-Methyl-4-penten-1-ol
- Molecular formula
- C6H12O
- Molecular weight
- 100.16
Names & synonyms
4-METHYL-4-PENTEN-1-OL4-methylpent-4-en-1-ol4-Methylpent-4-ene-1-ol4-Penten-1-ol, 4-methyl-DG4X78WZ6ADTXSID10177030RefChem:99792DTXCID509952122508-64-1MFCD000460214-Penten-1-ol,4-methyl-EINECS 245-046-4
Show more names
4-Methyl-4-Penten-1-Ol(WX640339)
4-methyl-4-pentenolUNII-DG4X78WZ6A4-methyl-4-pentene-1-olSCHEMBL466793SCHEMBL716531SCHEMBL2530908SCHEMBL7638573AKOS006274837
Database identifiers
- CAS
22508-64-1- PubChem CID
- 89737
- DTXSID
DTXSID10177030- UNII
- DG4X78WZ6A
- EC Number
- 245-046-4
- Nikkaji
- J286.230A
Properties
Computed structural properties
- XLogP
- 1.6
- 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
- 57.2
Physicochemical properties
- Melting point
- 22.55 °C · 22.55°C (estimate)
- Boiling point
- 147 ℃ · 147℃
- Density
- 0.834 · 0.834
- refractive index
- 1.4289 · 1.4289 (estimate)
- Flash point
- 57 ℃ · 57℃
- pka
- 15.09 · 15.09±0.10(Predicted)
- LogP
- 1.195 · 1.195 (est)
- FDA UNII
- 4 X78WZ6A · DG4X78WZ6A
- 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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses4-Methyl-4-pentenol is an enol organic compound used as an organic reagent in organic synthesis and experimental research.
Suppliers33 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
北京东华力拓科技发展有限公司010-88425576 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
郑州研德生物科技有限公司0371-63682289 15538176268 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
上海丽康新材料有限公司+86-16631818819 +86-17736933208 · [email protected]
吉林中科研伸科技有限公司0431-80534353 19917294565 · [email protected]
湖州清硫硅生物科技有限公司13626726938 · [email protected]
成都卡麦尔医药科技有限公司028-67136579 15828051124 · [email protected]
Related reactions
2 records
Compound notes
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