3-Methylcyclopentanol, mixed isomers
Basic information
- CAS
18729-48-1- Standard SMILES
CC1CCC(O)C1- InChIKey
VEALHWXMCIRWGC-UHFFFAOYSA-N- Molecular formula
- C6H12O
- Average molar mass
- 100.16 g/mol
- Monoisotopic mass
- 100.088815
Names & identifiers
- Preferred name
- 3-Methylcyclopentanol, mixed isomers
- IUPAC
- 3-methylcyclopentan-1-ol
- English name
- 3-METHYLCYCLOPENTANOL
- Molecular formula
- C6H12O
- Molecular weight
- 100.16
Names & synonyms
3-MethylcyclopentanolEINECS 242-540-1RefChem:504202242-540-118729-48-13-methylcyclopentan-1-olCyclopentanol, 3-methyl-MFCD000013683-methyl-cyclopentanol3-Methyl-1-cyclopentanol3-methylcyclopentyl alcoholSCHEMBL181737
Show more names
Cyclopentanol,3-methyl-3-methylcyclopentanol, mixed isomers3-methylcyclopentanol,mixtureofisomers3-Methylcyclopentanol, Mixture of isoMers 99%(+/-)-3-METHYLCYCLOPENTANOL, 99%, MIXTUR E OF ISOMERS
SCHEMBL766964SCHEMBL2292339SCHEMBL5827395SCHEMBL8492199SCHEMBL8492202DTXSID708648535590-95-4GEO-01804
Database identifiers
- CAS
18729-48-1- PubChem CID
- 86785
- DTXSID
DTXSID70864853- EC Number
- 242-540-1
- Nikkaji
- J191.956C
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 61.2
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- -0.75 °C · -0.75°C (estimate)
- Boiling point
- 149 · 149-150 °C(lit.)
- Density
- 0.91 g/mL · 0.91 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.446(lit.)
- Flash point
- 131 °F · 131 °F
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 15.32 · 15.32±0.40(Predicted)
- form
- liquid
- Appearance
- Colorless to light yellow Liquid
- InChI
- 1S/C6H12O/c1-5-2-3-6(7)4-5/h5-7H,2-4H2,1H3
- InChIKey
- VEALHWXMCIRWGC-UHFFFAOYSA-N
- SMILES
- CC1CCC(O)C1
- LogP
- 1.291 · 1.291 (est)
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, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 1987 3/PG 3
- hs_code
- 29061900
- risk_code
- 10
- Signal word
- Warning
- Symbol(GHS)
- GHS02
- safety_code
- 16
- hazard_class
- 3.2
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- Hazard statements
- H225
- Hazard Classifications
- Flam. Liq. 3
- Precautionary statements
- P210-P403+P235
Chemistry & industry
Applications
Uses3-Methylcyclopentanol has been used in the synthesis of pentacycloalkoxy-substituted phosphazenes and 3-methyl cyclopentylbromide.
Suppliers
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Related reactions
7 records
Compound notes
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