Basic information
- CAS
615-29-2- Standard SMILES
CCC(C)C(O)CC- InChIKey
NZPGYIBESMMUFU-UHFFFAOYSA-N- Molecular formula
- C7H16O
- Average molar mass
- 116.2 g/mol
- Monoisotopic mass
- 116.12011513
Names & identifiers
- Preferred name
- 4-Methylhexan-3-ol
- IUPAC
- 4-methylhexan-3-ol
- English name
- 3-Methyl-4-hexanol
- Molecular formula
- C7H16O
- Molecular weight
- 116.2
Names & synonyms
4-Methylhexan-3-ol3-Methyl-4-hexanol4-METHYL-3-HEXANOL2-Ethyl-3-pentanol3-Hexanol, 4-methyl-3-Pentanol, 2-ethyl-EINECS 210-419-2DTXSID20977063NSC 91500RefChem:99890DTXCID801404423210-419-2
Show more names
NZPGYIBESMMUFU-UHFFFAOYSA-N615-29-2NSC91500SCHEMBL428351orb2563873SCHEMBL3668338SCHEMBL4401537SCHEMBL5827740
Database identifiers
- CAS
615-29-2- PubChem CID
- 11991
- DTXSID
DTXSID20977063- EC Number
- 210-419-2
- Nikkaji
- J95.497G
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 52.3
Physicochemical properties
- Melting point
- -30.45 °C · -30.45°C (estimate)
- Boiling point
- 149.5 °C · 149.5°C
- Density
- 0.82 · 0.8200
- refractive index
- 1.42 · 1.4200
- Henry's Law Constant
- 1.1 · 1.1×10-1 mol/(m3Pa) at 25℃, Yaws (2003)
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H226-H335-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- Hazard statements
- H319-H226-H335-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Applications
Uses4-Methyl-3-hexanol is a constituent of alarm pheromone responsible for the behavioral activity in fungus growing ants.
Upstream & downstream products
Downstream products
Suppliers3 total
Alfa Chemistry1-516-6625404 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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