(2S)-4-methylpentan-2-ol
Basic information
- CAS
14898-80-7- Standard SMILES
CC(C)C[C@H](C)O- InChIKey
WVYWICLMDOOCFB-LURJTMIESA-N- Molecular formula
- C6H14O
- Average molar mass
- 102.17 g/mol
- Monoisotopic mass
- 102.10446507
Names & identifiers
- Preferred name
- (2S)-4-methylpentan-2-ol
- IUPAC
- (2S)-4-methylpentan-2-ol
- English name
- (S)-(+)-4-Methyl-2-pentanol
- Molecular formula
- C6H14O
- Molecular weight
- 102.17
Names & synonyms
(2S)-4-methylpentan-2-olRefChem:398638623-249-214898-80-7(S)-(+)-4-Methyl-2-pentanol(S)-4-Methylpentan-2-olMFCD03093078(S)-(+)-4-Methylpentan-2-ol4-methyl (s)-2-pentanol2-Pentanol, 4-methyl-, (2S)-(s)-4-methyl-2-pentanol(S)-1,3-Dimethyl-1-butanol
Show more names
(S)-(+)-4-methyl-2-pentylol(S)-(+)-4-METHYL-2-PENTANOL, 99% (99+% ee)(S)-(+)-4-METHYL-2-PENTANOL ISO 9001：2015 REACH
(s)-4-methyl-pentan-2-olSCHEMBL1089695DTXSID00426387WVYWICLMDOOCFB-LURJTMIESA-N(S)-(+)-Methyl isobutyl carbinolAKOS025294552(S)-(+)-4-Methyl-2-pentanol 1GRAS-91878
Database identifiers
- CAS
14898-80-7- PubChem CID
- 6994471
- DTXSID
DTXSID00426387- EC Number
- 623-249-2
- Nikkaji
- J75.870A
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 41.4
Physicochemical properties
- Boiling point
- 138 °C · 138 °C(lit.)
- Density
- 0.802 g/mL · 0.802 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.4790(lit.)
- Flash point
- 106 °F · 106 °F
- storage temp.
- Flammables area
- form
- Liquid
- pka
- 15.31 · 15.31±0.20(Predicted)
- color
- Clear colorless
- Specific Gravity
- 0.802 · 0.802
- Water Solubility
- Slightly soluble in water. Soluble in alcohol.
- BRN
- 1718991 · 1718991
- InChI
- InChI=1S/C6H14O/c1-5(2)4-6(3)7/h5-7H,4H2,1-3H3/t6-/m0/s1
- InChIKey
- WVYWICLMDOOCFB-LURJTMIESA-N
- SMILES
- C[C@H](O)CC(C)C
- LogP
- 1.546 · 1.546 (est)
- Symbol(GHS)
- 2 · GHS02,GHS07
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, P271, P280, P303+P361+P353, P304+P340, P317, P319, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- wgk
- 1
- ridadr
- UN 2053 3/PG 3
- hs_code
- 29051900
- risk_code
- 10-37-66-20
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- Xi,Xn
- safety_code
- 24/25-46
- hazard_class
- 3
- packing_group
- III
- Hazard statements
- H226-H303-H313-H335
- Precautionary statements
- P262
Chemistry & industry
Applications
UsesIt is employed in the reaction of 2-methoxyethyl acetals with allylsilanes in the presence of titanium tetrachloride: regioselective carbon-oxygen bond cleavage of the unsymmetrical acetals.
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Related reactions
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Compound notes
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