Texanol

Base Information

Chemical Name:Texanol
CAS No.:77-68-9
Deprecated CAS:80525-37-7
Molecular Formula:C12H24O3
Molecular Weight:216.321
Hs Code.:
European Community (EC) Number:246-771-9,201-049-2
ICSC Number:0629
UNII:9LJI14453C
DSSTox Substance ID:DTXSID10872295
Nikkaji Number:J36.598J
Wikidata:Q27272708
ChEMBL ID:CHEMBL3184970

Synonyms:2,2,4-trimethyl-1,3-pentanediol monoisobutyrate;Texanol

Suppliers and Price of Texanol

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 14 raw suppliers

Chemical Property of Texanol

Chemical Property:

Vapor Pressure:0.00378mmHg at 25°C
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:216.17254462
Heavy Atom Count:15
Complexity:207

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:
Statements: R36/37/38:对眼睛、呼吸道和皮肤有刺激作用;
Safety Statements: S24/25:;

MSDS Files:: SDS file from LookChem

Useful:

Chemical Classes:Other Classes -> Other Organic Compounds
Canonical SMILES:CC(C)C(C(C)(C)COC(=O)C(C)C)O
Inhalation Risk:Evaporation at 20 °C is negligible; a nuisance-causing concentration of airborne particles can, however, be reached quickly on spraying.
Effects of Short Term Exposure:The substance is irritating to the eyes and skin.

Technology Process of Texanol

There total 11 articles about Texanol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 64.75%

: 78-84-2
isobutyraldehyde

: 77-68-9
texanol

Guidance literature:: With 8‐butyl‐1,8‐diazabicyclo[5.4.0]undec‐7‐enium imidazolide; In water; at 70 ℃; for 2h; Solvent; Reagent/catalyst; Temperature; Time; Green chemistry;
DOI:10.1002/aoc.5145

Reference yield: 38.0%

: 78-84-2
isobutyraldehyde

: 77-68-9
texanol

: 6846-50-0
2,2,4-trimethyl-1,3-pentanediol diisobutyrate

: 18491-15-1
2-methylpropionic acid 3-hydroxy-2,2-dimethyl-1-(1-methylethyl)propyl ester

Guidance literature:: O₂W^(1-)*Li⁽¹⁺⁾; In tetrahydrofuran; at 40 ℃; for 24h; Yields of byproduct given; variation of temperature;
DOI:10.1021/jo00156a001

Reference yield:

: 78-84-2
isobutyraldehyde

: 144-19-4
2,2,4-trimethylpentan-1,3-diol

: 77-68-9
texanol

: 6846-50-0
2,2,4-trimethyl-1,3-pentanediol diisobutyrate

: 18491-15-1
2-methylpropionic acid 3-hydroxy-2,2-dimethyl-1-(1-methylethyl)propyl ester

: 79-31-2
isobutyric Acid

Guidance literature:: With sodium hydroxide; In water; at 60 ℃; for 4h; Concentration; Overall yield = 63.6 %Chromat.;
DOI:10.2478/s11696-013-0450-5