2,2,4-Trimethyl-1,3-pentanediol diisobutyrate
Properties
- Molecular formula
- C16H30O4
- Molar mass
- 286.41 g/mol
- Exact mass
- 286.2144 Da
- Boiling point
- 280 °C
- logP
- 3.44Crippen estimate
- Polar surface area
- 52.6 Ų
- H-bond donors / acceptors
- 0 / 4
- Rotatable bonds
- 7
Identifiers
CAS number
6846-50-0SMILES
CC(C)C(=O)OCC(C)(C)C(OC(=O)C(C)C)C(C)CInChIKey
OMVSWZDEEGIJJI-UHFFFAOYSA-NInChI
InChI=1S/C16H30O4/c1-10(2)13(20-15(18)12(5)6)16(7,8)9-19-14(17)11(3)4/h10-13H,9H2,1-8H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
25 names · show all
- Propanoic acid, 2-methyl-, 1,1′-[2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl] ester
- 2,2-Dimethyl-1-(1-methylethyl)-1,3-propanediyl bis(2-methylpropanoate)
- Isobutyric acid, 1-isopropyl-2,2-dimethyltrimethylene ester
- Propanoic acid, 2-methyl-, 2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl ester
- 1,3-Pentanediol, 2,2,4-trimethyl-, diisobutyrate
- Kodaflex TXIB
- 2,2,4-Trimethyl-1,3-pentanediyl diisobutyrate
- Texanol isobutyrate
- CS 16
- Kyowanol M
- Kyowanol D
- Eastman TXIB
- 2,2,4-Trimethyl-1,3-pentanediol di(isopropylformate)
- TXIB
- Optifilm enhancer 300
- 2,2,4-Trimethyl-1,3-pentanediol bis(isobutyrate)
- 2,2,4-Trimethylpentane 1,3-diisobutanoate
- Texanol OE 300
- OE 300
- [2,2,4-Trimethyl-3-(2-methylpropanoyloxy)pentyl] 2-methylpropanoate
- RTC 16
- C 16
- NX 800 (coalescing agent)
- NX 800
- 1-Isopropyl-2,2-dimethyltrimethylene diisobutyrate
Work with 2,2,4-Trimethyl-1,3-pentanediol diisobutyrate
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
(+)-Pantolactone5405-40-345 % similar
D-Pantolactone599-04-245 % similar
Ethyl isobutyrate97-62-142 % similar
Butyl isobutyrate97-87-041 % similar
Isobutyl isobutyrate97-85-841 % similar
Isopropyl isobutyrate617-50-540 % similar
Propyl isobutyrate644-49-539 % similar
Hexyl isobutyrate2349-07-739 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds