Butyric anhydride

C8H14O3CAS 106-31-0158.20 g/mol

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OOO
Acid anhydride

Properties

Molecular formula
C8H14O3
Molar mass
158.20 g/mol
Exact mass
158.0943 Da
Density
0.9668 g/mL (at 20 °C)
Melting point
−75 °C
Boiling point
199.4–201.4 °C
Flash point
82.2 °C (closed cup)
Water solubility
soluble
logP
1.66Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
4

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 437 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, P501

Identifiers

CAS number
106-31-0
SMILES
CCCC(=O)OC(=O)CCC
InChIKey
YHASWHZGWUONAO-UHFFFAOYSA-N
InChI
InChI=1S/C8H14O3/c1-3-5-7(9)11-8(10)6-4-2/h3-6H2,1-2H3

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Names and synonyms

10 names
  • Butanoic acid, 1,1′-anhydride
  • Butanoic acid, anhydride
  • Butanoic anhydride
  • Butyryl oxide
  • Butyric acid anhydride
  • n-Butyric acid anhydride
  • n-Butyric anhydride
  • Butanoyl anhydride
  • Butanoyl butanoate
  • Butyryl anhydride

Work with Butyric anhydride

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

Valeric anhydride2082-59-971 % similar n-Caproic anhydride2051-49-268 % similar Decanoic anhydride2082-76-065 % similar Palmitic anhydride623-65-465 % similar Heptanoic anhydride626-27-765 % similar Stearic anhydride638-08-465 % similar Methyl butyrate623-42-764 % similar Succinic anhydride108-30-561 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl 5-oxohexanoate13984-57-1 tert-Butyl acetoacetate1694-31-1 Methyl 4-hydroxycyclohexanecarboxylate17449-76-2 1,4-Dioxa-spiro[4.5]decan-8-ol22428-87-1 Ethoxyethyl methacrylate2370-63-0 Ethyl 3-oxohexanoate3249-68-1 Methyl 3-oxoheptanoate39815-78-6 Methyl 4,4-dimethyl-3-oxopentanoate55107-14-7

Elsewhere

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