Basic information
- CAS
61949-26-6- Standard SMILES
CCCCC(C)CO- InChIKey
LCFKURIJYIJNRU-UHFFFAOYSA-N- Molecular formula
- C7H16O
- Average molar mass
- 116.2 g/mol
- Monoisotopic mass
- 116.12011513
Overview
2-methylhexanol has been reported in Zingiber mioga with data available.
Names & identifiers
- Preferred name
- 2-Methylhexanol
- IUPAC
- 2-methylhexan-1-ol
- English name
- 2-METHYL-1-HEXANOL
- Molecular formula
- C7H16O
- Molecular weight
- 116.2
Names & synonyms
2-Methylhexan-1-ol2-methyl-1-hexanol624-22-61-Hexanol, 2-methyl-2-methylhexanolZ6K9KCS2ZNEINECS 210-837-5DTXSID301031552RefChem:476065DTXCID301404842210-837-561949-26-6
Show more names
2-methyl-1-hexano2-METHYL-1-HEXANOL2-METHYL-1-HEXANOL
MFCD00059145METHYLHEXANOLmethyl-1-hexanol2-methyl-hexan-1-olUNII-Z6K9KCS2ZNSCHEMBL186907SCHEMBL233855SCHEMBL3158351
Database identifiers
- CAS
61949-26-6、624-22-6- PubChem CID
- 43858
- DTXSID
DTXSID301031552- UNII
- Z6K9KCS2ZN
- EC Number
- 210-837-5
- Nikkaji
- J95.492F
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 43.7
Physicochemical properties
- Melting point
- -30.45 °C · -30.45°C (estimate)
- Boiling point
- 168 · 168-169℃ (754 Torr)
- Density
- 0.818 · 0.818±0.06 g/cm3 (20 ºC 760 Torr)
- refractive index
- 1.429 · 1.429 (589.3 nm 20℃)
- Flash point
- 61.8 · 61.8±6.5℃
- storage temp.
- 2 · 2-8°C
- pka
- 15.05 · 15.05±0.10(Predicted)
- Henry's Law Constant
- 6.9 · 6.9×10-1 mol/(m3Pa) at 25℃, Hiatt (2013)
- LogP
- 2.211 · 2.211 (est)
- FDA UNII
- 6 K9KCS2ZN · Z6K9KCS2ZN
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
Regulatory InformationChemical: 1-Hexanol, 2-methyl
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers1 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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