chempirical

Texanol

C12H24O3CAS 25265-77-4216.32 g/mol

Open in Covalent MOL file
OOOH
AlcoholEster

Properties

Molecular formula
C12H24O3
Molar mass
216.32 g/mol
Exact mass
216.1725 Da
Density
0.95 g/mL
Melting point
−50 °C
Boiling point
255–260 °C
logP
2.23Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
5

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
25265-77-4
SMILES
CC(C)C(C(C)(C)COC(=O)C(C)C)O
InChIKey
DAFHKNAQFPVRKR-UHFFFAOYSA-N
InChI
InChI=1S/C12H24O3/c1-8(2)10(13)12(5,6)7-15-11(14)9(3)4/h8-10,13H,7H2,1-6H3

Weigh it out

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

Names and synonyms

25 names · show all
  • Propanoic acid, 2-methyl-, monoester with 2,2,4-trimethyl-1,3-pentanediol
  • Isobutyric acid, ester with 2,2,4-trimethyl-1,3-pentanediol
  • 2,2,4-Trimethyl-1,3-pentanediol monoisobutyrate
  • Isobutyraldehyde Tishchenko trimer
  • CS 12
  • Chissocizer CS 12
  • Ucar filmer IBT
  • NX 795
  • Ester 12
  • Texanol ester alcohol
  • Alcohol ester 12
  • 2,2,4-Trimethyl-1,3-pentanediol monoisobutylate
  • Nexcoat NX 795
  • C 12
  • 2,2,4-Trimethyl-1,3-pentanediol mono(2-methylpropanoate)
  • XS 12
  • GRSHY 1800
  • DN 12
  • 3-Pentanediol,2,2,4-trimethyl-monoisobutyrate
  • LD 506
  • Ruanta C 12
  • AD 82
  • Texanol AD 82
  • Haltanol
  • G 12

Work with Texanol

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

2,2,4-Trimethyl-1,3-pentanediol diisobutyrate6846-50-063 % similar (+)-Pantolactone5405-40-353 % similar D-Pantolactone599-04-253 % similar (±)-Pantolactone79-50-553 % similar 2,2,4-Trimethyl-1,3-pentanediol144-19-444 % similar Ethyl isobutyrate97-62-142 % similar Chloromethyl 2-methylpropanoate61644-18-641 % similar Isobutyl isobutyrate97-85-841 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

tert-Butyl peroxy-2-ethylhexanoate3006-82-4 12-Hydroxydodecanoic acid505-95-3 2,4,6-Triisopropyl-1,3,5-trioxane7580-12-3

Elsewhere

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