3-Hydroxy-2,2,4-trimethylpentyl 2-methylpropanoate

Basic Information

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CAS Number

25265-77-4

Molecular Formula

C12H24O3

Molecular Weight

216.32 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

-50°C

Boiling Point

255-260 ºC

Water Solubility

Soluble in water 900 mg/L.

Flash Point

244°C

Refractive Index

1.44-1.442

Vapor Pressure

0.0±1.1 mmHg at 25°C

SMILES

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

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

InChIKey

DAFHKNAQFPVRKR-UHFFFAOYSA-N

LogP

2.2287000000000003

Topological Polar Surface Area

46.53 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

207

Safety Information

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GHS Hazard Pictograms

H303

Hazard Statement

H303 May be harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

LS-14159
MFCD00148967
2,2,4-Trimethyl-1,3-pentanediol monoisobutyrate
Tox21_200148
2,2,4-Trimethyl-1,3-pentanediolmono(2-methylpropanoate)
ISOBUTYRIC ACID, 3-HYDROXY-2,2,4-TRIMETHYLPENTYL ESTER
Q27272708
DSSTox_GSID_27857
77-68-9
Texanolesteralcohol
3-Hydroxy-2,2,4-trimethylpentyl isobutyrate
CAS-25265-77-4
AKOS015900105
(+/-)-2,2,4-TRIMETHYL-1,3-PENTANEDIOL 1-ISOBUTYRATE
Isobutyric acid 2,2,4-trimethylpentane-1,3-diol ester
J-506772
3-hydroxy-2,2,4-trimethylpentyl 2-methylpropionate
DSSTox_CID_7857
3-Hydroxy-2,2,4-trimethylpentyl 2-methylpropanoate
2,2,4-TRIMETHYL-1,3-PENTANEDIOL 1-ISOBUTYRATE
NCGC00257702-01
1185060-32-5
2-Methyl-propanoic Acid 3-Hydroxy-2,2,4-trimethylpentyl Ester
2,2,4-TRIMETHYL-1,3-PENTANEDIOL 1-ISOBUTYRATE, (+/-)-
9LJI14453C
DSSTox_RID_78592
EINECS 201-049-2
Texanol
3-Hydroxy-2,2,4-trimethylpentyl Isobutyrate (contains ca. 40% 2,2,4-Trimethyl-1,3-pentanediol 3-monoisobutyrate)
SCHEMBL56321
NS00008484

MDL Number

MFCD00148967

Customs Code

29156000

FAQ

What is 3-Hydroxy-2,2,4-trimethylpentyl 2-methylpropanoate (CAS: 25265-77-4)?

3-Hydroxy-2,2,4-trimethylpentyl 2-methylpropanoate (CAS: 25265-77-4) is an ester compound with the chemical formula C13H26O2. It is a colorless liquid characterized by its low volatility and solubility in organic solvents. The molecule features a hydroxyl group and multiple methyl branches, making it valuable in specialized chemical applications.

What are the main uses of 3-Hydroxy-2,2,4-trimethylpentyl 2-methylpropanoate (CAS: 25265-77-4)?

This compound is primarily used in pharmaceutical research as a synthetic intermediate, in the fragrance and flavor industry for its aromatic properties, and in organic chemistry studies for structural analysis. It also serves as a solvent in specific industrial processes and is utilized in the development of specialty polymers and coatings.

Is 3-Hydroxy-2,2,4-trimethylpentyl 2-methylpropanoate (CAS: 25265-77-4) safe?

3-Hydroxy-2,2,4-trimethylpentyl 2-methylpropanoate (CAS: 25265-77-4) is generally considered safe when handled properly. However, it should be used in well-ventilated areas to avoid inhalation risks. Protective gloves and eyewear are recommended, and direct skin contact should be minimized. Safety standards include adherence to OSHA and EPA guidelines for chemical storage and use.

How should 3-Hydroxy-2,2,4-trimethylpentyl 2-methylpropanoate (CAS: 25265-77-4) be stored?

Store 3-Hydroxy-2,2,4-trimethylpentyl 2-methylpropanoate (CAS: 25265-77-4) in a sealed, airtight container in a cool (below 25°C), dry, and dark environment to maintain stability. Keep it away from heat sources and moisture. Use glass or HDPE containers to prevent degradation and ensure long-term preservation.