Butyl butyryllactate

C11H20O4CAS 7492-70-8216.28 g/mol

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Ester

Properties

Molecular formula
C11H20O4
Molar mass
216.28 g/mol
Exact mass
216.1362 Da
Density
0.966–0.978 g/mL
logP
2.06Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
7

Hazards

Not classified as hazardous under GHS by 1,618 ECHA notifiers. Aggregated from 1,618 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
7492-70-8
SMILES
CCCCOC(=O)C(C)OC(=O)CCC
InChIKey
NORZZKKLCYMBBF-UHFFFAOYSA-N
InChI
InChI=1S/C11H20O4/c1-4-6-8-14-11(13)9(3)15-10(12)7-5-2/h9H,4-8H2,1-3H3

Weigh it out

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

Names and synonyms

5 names
  • Butanoic acid, 2-butoxy-1-methyl-2-oxoethyl ester
  • Butyric acid, ester with butyl lactate
  • Lactic acid, butyl ester, butyrate
  • NSC 166507
  • (1-Butoxy-1-oxopropan-2-yl) butanoate

Work with Butyl butyryllactate

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Butyl butyrate109-21-759 % similar Butyl isobutyrate97-87-056 % similar Pentyl butyrate540-18-153 % similar Dibutyl succinate141-03-751 % similar Octyl butyrate110-39-451 % similar Hexyl butyrate2639-63-651 % similar Heptyl butyrate5870-93-951 % similar n-Butyl lactate138-22-751 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Diethyl isobutylmalonate10203-58-4 1,3-Diethyl 2-butylpropanedioate133-08-4 Dimethyl azelate1732-10-1 Neopentyl glycol diglycidyl ether17557-23-2 Undecanedioic acid1852-04-6 Diethyl pimelate2050-20-6 2,2,6,6-Tetramethylpimelic acid2941-45-9 1,3-Bis(1,1-dimethylethyl) propanedioate541-16-2

Elsewhere

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