5-Methoxypentan-1-ol
Basic information
- CAS
4799-62-6- Standard SMILES
COCCCCCO- InChIKey
OMNKOGMRWWOOFR-UHFFFAOYSA-N- Molecular formula
- C6H14O2
- Average molar mass
- 118.17 g/mol
- Monoisotopic mass
- 118.09937969
Names & identifiers
- Preferred name
- 5-Methoxypentan-1-ol
- IUPAC
- 5-methoxypentan-1-ol
- English name
- 5-Methoxy-1-pentanol
- Molecular formula
- C6H14O2
- Molecular weight
- 118.17
Names & synonyms
5-methoxypentan-1-ol5-Methoxy-1-pentanolRefChem:536739982-796-84799-62-65-methoxypentanol5-METHYOXY-1-PENTANOL1-Pentanol, 5-methoxy-5-METHOXYPENTANOL-15-methoxy-pentan-1-olSCHEMBL135975SCHEMBL425479
Show more names
SCHEMBL2283222SCHEMBL3543914SCHEMBL6623275SCHEMBL10418479SCHEMBL14892586DTXSID90197372OMNKOGMRWWOOFR-UHFFFAOYSA-NMFCD00046025
Database identifiers
- CAS
4799-62-6- PubChem CID
- 20931
- DTXSID
DTXSID90197372- EC Number
- 982-796-8
- Nikkaji
- J99.937G
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 37.5
Experimental & physicochemical properties
SolventsSolvents -> Other Solvents
Physicochemical properties
- Boiling point
- 194 ℃ · 194℃
- Density
- 0.9215 g/cm3 · 0.9215 g/cm3
- refractive index
- 1.43759 · 1.43759 (20℃)
- pka
- 15.15 · 15.15±0.10(Predicted)
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
H227 (100%): Combustible liquid [Warning Flammable liquids]
P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, 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
Hazards SummarySee 1-Ethoxy-2-propanol.
Hazard Classes and CategoriesFlam. Liq. 4 (100%)
Toxicology
Adverse EffectsNeurotoxin - Acute solvent syndrome
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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