5-Methylheptan-3-ol
Basic information
- CAS
18720-65-5- Standard SMILES
CCC(C)CC(O)CC- InChIKey
SECKOSOTZOBWEI-UHFFFAOYSA-N- Molecular formula
- C8H18O
- Average molar mass
- 130.23 g/mol
- Monoisotopic mass
- 130.13576519
Names & identifiers
- Preferred name
- 5-Methylheptan-3-ol
- IUPAC
- 5-methylheptan-3-ol
- English name
- 5-Methyl-3-heptanol
- Molecular formula
- C8H18O
- Molecular weight
- 130.23
Names & synonyms
5-Methylheptan-3-ol5-Methyl-3-heptanol3-Heptanol, 5-methyl-AI3-28629EINECS 242-531-2SECKOSOTZOBWEI-UHFFFAOYSA-DTXSID90871286RefChem:537260DTXCID70818957242-531-2InChI=1/C8H18O/c1-4-7(3)6-8(9)5-2/h7-9H,4-6H2,1-3H318720-65-5
Show more names
3-METHYL-5-HEPTANOL5-methyl-3-heptanol95+%5-Methyl-3-heptyl Alcohol-d18
MFCD000219205-methyl-heptan-3-olSCHEMBL106138SCHEMBL4396006SCHEMBL4830451SCHEMBL6694870AKOS000249478SB85074
Database identifiers
- CAS
18720-65-5- PubChem CID
- 86782
- DTXSID
DTXSID90871286- EC Number
- 242-531-2
- Nikkaji
- J110.661I
Properties
Computed structural properties
- XLogP
- 2.7
- 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
- 61.6
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- -91 °C · -91 °C
- Boiling point
- 153 °C · 153 °C
- Density
- 0.83 · 0.83
- refractive index
- 1.426 to · 1.4260 to 1.4290
- pka
- 15.28 · 15.28±0.20(Predicted)
- Henry's Law Constant
- 8.7 · 8.7×10-2 mol/(m3Pa) at 25℃, Yaws (2003)
- Dielectric constant
- 6.13 · 6.1299999999999999
- LogP
- 2.565 · 2.565 (est)
- CAS DataBase Reference
- 18720 · 18720-65-5(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
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
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319
- Precautionary statements
- P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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