Texanol

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Systematic / IUPAC Name: 3-Hydroxy-2,2,4-trimethylpentyl 2-methylpropanoate

ID: Reference2649

Other Names: Chissocizer CS 12;
(3-Hydroxy-2,2,4-trimethylpentyl) 2-methylpropanoate;
1,3-Pentanediol, 2,2,4-trimethyl-, 1-isobutyrate;
1,3-Pentanediol, 2,2,4-trimethyl-, monoisobutyrate;
2,2,4-Trimethyl-1,3-pentanediol 1-isobutyrate ; more

Formula: C12H24O3

Class: Extractables/Leachables Industrial Chemicals Textile Chemicals/Auxiliary/Dyes Personal Care Products/Cosmetics

Spectral Data

Texanol mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 218
Tandem Spectra MS1, MS2
Ionization Methods ESI; APCI
Analyzers FT
Last Modification 3/16/2016 12:37:01 PM
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Identificators

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
InChI Key DAFHKNAQFPVRKR-UHFFFAOYSA-N
Canonical SMILES CC(C)C(C(C)(C)COC(=O)C(C)C)O
CAS 25265774
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Other Names Chissocizer CS 12;
(3-Hydroxy-2,2,4-trimethylpentyl) 2-methylpropanoate;
1,3-Pentanediol, 2,2,4-trimethyl-, 1-isobutyrate;
1,3-Pentanediol, 2,2,4-trimethyl-, monoisobutyrate;
2,2,4-Trimethyl-1,3-pentanediol 1-isobutyrate;
2,2,4-Trimethyl-1,3-pentanediol isobutyrate ;
2,2,4-Trimethyl-1,3-pentanediol monoisobutyrate;
2,2,4-Trimethylpentane-1,3-diol monoisobutyrate;
3-Hydroxy-2,2,4-trimethylpentyl isobutyrate;
Isobutyric acid, monoester with 2,2,4-trimethylpentane-1,3-diol;
Propanoic acid, 2-methyl-, 3-hydroxy-2,2,4-trimethylpentyl ester;
Propanoic acid, 2-methyl-, monoester with 2,2,4-trimethyl-1,3-pentanediol;
Propanoic acid, methyl-, monoester with 2,2,4-trimethyl-1,3-pentanediol;
Propionic acid, 2-methyl-, monoester with 2,2,4-trimethyl-1,3-pentanediol

In Other Databases

ChemIDPlus 000077689; 025265774
PubChem 6490
ChEMBL CHEMBL3184970
ChemSpider 6245