4-Methyl-2-pentyl acetate

C8H16O2CAS 108-84-9144.21 g/mol

Open in Covalent MOL file
OO
Ester

Properties

Molecular formula
C8H16O2
Molar mass
144.21 g/mol
Exact mass
144.1150 Da
Density
0.8805 g/mL (at 25 °C)
Melting point
−64 °C
Boiling point
147.5 °C
Flash point
45 °C (closed cup)
Water solubility
800 mg/L
logP
1.98Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Hazards

Warning
Flammable (GHS02)Irritant (GHS07)

Aggregated from 128 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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, P501

Identifiers

CAS number
108-84-9
SMILES
CC(=O)OC(C)CC(C)C
InChIKey
CPIVYSAVIPTCCX-UHFFFAOYSA-N
InChI
InChI=1S/C8H16O2/c1-6(2)5-7(3)10-8(4)9/h6-7H,5H2,1-4H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

9 names
  • 2-Pentanol, 4-methyl-, 2-acetate
  • 2-Pentanol, 4-methyl-, acetate
  • MAAc
  • Methylisobutylcarbinol acetate
  • 1,3-Dimethylbutyl acetate
  • 4-Methylpent-2-yl ethanoate
  • Acetic acid 1,3-dimethylbutyl ester
  • 4-Methyl-2-pentanol acetate
  • NSC 567

Work with 4-Methyl-2-pentyl acetate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

sec-Butyl acetate105-46-461 % similar Propylene glycol diacetate623-84-759 % similar Propylene glycol methyl ether acetate108-65-657 % similar 1,3-Butylene glycol diacetate1117-31-355 % similar Dipropylene glycol methyl ether acetate88917-22-050 % similar 1-Phenyl-2-propanol acetate2114-33-249 % similar Isobutyl acetate110-19-048 % similar Isopropyl acetate108-21-448 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Ethylbutyl acetate10031-87-5 Cyclohexanedimethanol105-08-8 Isoamyl propionate105-68-0 1,1-Diethoxy-2-butene10602-34-3 Methyl heptanoate106-73-0 Butyl butyrate109-21-7 2-Methylheptanoic acid1188-02-9 Ethyl hexanoate123-66-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook