4-Methyl-1,6-heptadien-4-ol
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Basic information
- CAS
25201-40-5- Standard SMILES
C=CCC(C)(O)CC=C- InChIKey
WAXJJHZQRWWQIR-UHFFFAOYSA-N- Molecular formula
- C8H14O
- Average molar mass
- 126.2 g/mol
- Monoisotopic mass
- 126.10446507
Names & identifiers
- Preferred name
- 4-Methyl-1,6-heptadien-4-ol
- IUPAC
- 4-methylhepta-1,6-dien-4-ol
- English name
- 1,1-DIALLYLETHANOL
- Molecular formula
- C8H14O
- Molecular weight
- 126.2
Names & synonyms
25201-40-54-Methyl-1,6-heptadien-4-ol1,6-HEPTADIEN-4-OL, 4-METHYL-4-Methyl-1,6-heptadiene-4-olTLM3OZ6DGPNSC-71540DTXSID20179868RefChem:1071053DTXCID80102359246-731-04-Methylhepta-1,6-dien-4-olDiallyl methyl carbinol
Show more names
AKOS 162AKOS BB-27881,1-DIALLYLETHANOL1,1-DIALLYLETHANOL 97%4-methyl-6-heptadien-4-ol
Diallylmethylcarbinol4-Hydroxy-4-methylhepta-1,6-dieneMFCD000261104-methyl-hepta-1,6-dien-4-olEINECS 246-731-0NSC 71540BRN 1740036AI3-13083
Database identifiers
- CAS
25201-40-5- PubChem CID
- 32837
- DTXSID
DTXSID20179868- UNII
- TLM3OZ6DGP
- EC Number
- 246-731-0
- Nikkaji
- J49.273F
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 95.1
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Melting point
- 140 · 140-142 °C
- Boiling point
- 53 · 53-56°C
- Density
- 0.8611 · 0.8611
- refractive index
- 1.45 · 1.4500
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- Chloroform, Ethyl Acetate
- form
- Oil
- pka
- 14.97 · 14.97±0.29(Predicted)
- color
- Clear Colourless to Pale Yellow
- CAS DataBase Reference
- 25201 · 25201-40-5
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 3 OZ6DGP · TLM3OZ6DGP
Chemistry & industry
Applications
Uses4-Hydroxy-4-methylhepta-1,6-diene is a compound useful in organic synthesis.
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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