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Details

Stereochemistry RACEMIC
Molecular Formula C12H24O3
Molecular Weight 216.3172
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,2,4-TRIMETHYL-1,3-PENTANEDIOL 1-ISOBUTYRATE

SMILES

CC(C)C(O)C(C)(C)COC(=O)C(C)C

InChI

InChIKey=DAFHKNAQFPVRKR-UHFFFAOYSA-N
InChI=1S/C12H24O3/c1-8(2)10(13)12(5,6)7-15-11(14)9(3)4/h8-10,13H,7H2,1-6H3

HIDE SMILES / InChI

Molecular Formula C12H24O3
Molecular Weight 216.3172
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

PubMed

PubMed

TitleDatePubMed
Sources of propylene glycol and glycol ethers in air at home.
2010-12
Common household chemicals and the allergy risks in pre-school age children.
2010-10-18
Ocular symptoms, tear film stability, nasal patency, and biomarkers in nasal lavage in indoor painters in relation to emissions from water-based paint.
2010-10
Occurrence of 2,2,4-trimethyl-1,3-pentanediol monoisobutyrate (Texanol) in foods packed in polystyrene and polypropylene cups.
2009-04
Sensory and analytical evaluations of paints with and without texanol.
2008-01-01
Acute effects of some volatile organic compounds emitted from water-based paints.
2007-08
Indoor molds, bacteria, microbial volatile organic compounds and plasticizers in schools--associations with asthma and respiratory symptoms in pupils.
2007-04
[Emission of volatile and semivolatile organic compounds from water-based akrylate paints].
2007
Film formation from monodisperse acrylic latices 5. Drying and ageing in coalescing agent containing latex films.
2005-08-01
Comparison of the substrate effect on VOC emissions from water based varnish and latex paint.
2003
Patents

Patents

Substance Class Chemical
Created
by admin
on Mon Mar 31 20:59:37 GMT 2025
Edited
by admin
on Mon Mar 31 20:59:37 GMT 2025
Record UNII
9LJI14453C
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,2,4-TRIMETHYL-1,3-PENTANEDIOL 1-ISOBUTYRATE
Common Name English
(±)-2,2,4-TRIMETHYL-1,3-PENTANEDIOL 1-ISOBUTYRATE
Preferred Name English
3-HYDROXY-2,2,4-TRIMETHYLPENTYL ISOBUTYRATE
Systematic Name English
ISOBUTYRALDEHYDE TRIMER
Common Name English
1,3-PENTANEDIOL, 2,2,4-TRIMETHYL-, 1-ISOBUTYRATE
Common Name English
2,2,4-TRIMETHYL-1,3-PENTANEDIOL 1-ISOBUTYRATE, (±)-
Common Name English
ISOBUTYRIC ACID, 3-HYDROXY-2,2,4-TRIMETHYLPENTYL ESTER
Common Name English
PROPANOIC ACID, 2-METHYL-, 3-HYDROXY-2,2,4-TRIMETHYLPENTYL ESTER
Common Name English
Code System Code Type Description
PUBCHEM
6490
Created by admin on Mon Mar 31 20:59:37 GMT 2025 , Edited by admin on Mon Mar 31 20:59:37 GMT 2025
PRIMARY
EPA CompTox
DTXSID10872295
Created by admin on Mon Mar 31 20:59:37 GMT 2025 , Edited by admin on Mon Mar 31 20:59:37 GMT 2025
PRIMARY
CAS
77-68-9
Created by admin on Mon Mar 31 20:59:37 GMT 2025 , Edited by admin on Mon Mar 31 20:59:37 GMT 2025
PRIMARY
ECHA (EC/EINECS)
201-049-2
Created by admin on Mon Mar 31 20:59:37 GMT 2025 , Edited by admin on Mon Mar 31 20:59:37 GMT 2025
PRIMARY
FDA UNII
9LJI14453C
Created by admin on Mon Mar 31 20:59:37 GMT 2025 , Edited by admin on Mon Mar 31 20:59:37 GMT 2025
PRIMARY