特克醇

Description

Texanol · CAS 77-68-9 · C12H24O3. UNII 9LJI14453C. Boiling Point: 471 °F at 760 mmHg (USCG, 1999); Boiling Point: 255-260 °C; Melting Point: -50 °C.

Identification

CAS Registry Number	77-68-9
PubChem CID	6490
Molecular formula	C12H24O3
IUPAC name	(3-hydroxy-2,2,4-trimethylpentyl) 2-methylpropanoate
UNII (FDA)	9LJI14453C

Computed Descriptors

Molecular Weight	216.32
XLogP3	3.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	216.17254462
Monoisotopic Mass	216.17254462
Topological Polar Surface Area	46.5
Heavy Atom Count	15
Formal Charge	0

Physical & Chemical Properties

Boiling Point	471 °F at 760 mmHg (USCG, 1999)
Boiling Point	255-260 °C
Melting Point	-50 °C
Flash Point	248 °F (USCG, 1999)
Flash Point	120 °C o.c.
Vapor Pressure	0.0097 [mmHg]
LogP	3.47
Autoignition Temperature	393 °C

Physical description & handling notes

• 2,2,4-trimethyl-1,3-pentanediol monoisobutyrate is a colorless liquid with a mild characteristic odor. Floats on water. (USCG, 1999)
• CBI; Dry Powder; Liquid
• Colorless liquid with a mild odor; [CHRIS]
• LIQUID.
• Solubility in water, g/100ml: 2
• 0.95 at 68 °F (USCG, 1999) - Less dense than water; will float

GHS Hazard Classification

Reported hazard statements	H320, H402

Documented Uses

• Petroleum Production and Refining [Category: Industry]
• Painting (Solvents) [Category: Paint]
• Applying Wood Preservatives [Category: Other]
• Metal Extraction and Refining [Category: Industry]
• EPA Safer Chemical Functional Use Classes -> Solvents
• Safer Chemical Classes -> Yellow triangle - The chemical has met Safer Choice Criteria for its functional ingredient-class, but has some hazard profile issues

Synonyms

Texanol; 25265-77-4; 2,2,4-Trimethyl-1,3-pentanediol monoisobutyrate; DTXSID5027857; RefChem:897547; DTXCID501778475; NX795; 246-771-9; Chissocizer CS 12; CS 12; ID6ZZH846Y; Isobutyraldehyde Tishchenko trimer; Propanoic acid, 2-methyl-, monoester with 2,2,4-trimethyl-1,3-pentanediol; Propionic acid, 2-methyl-, monoester with 2,2,4-trimethyl-1,3-pentanediol; Trimethyl hydroxypentyl isobutyrate; 77-68-9

Frequently Asked Questions

What are the CAS number and molecular formula of Texanol?

CAS 77-68-9; molecular formula C12H24O3; molecular weight — g/mol.

What other names is Texanol known by?

Texanol, 25265-77-4, 2,2,4-Trimethyl-1,3-pentanediol monoisobutyrate, DTXSID5027857, RefChem:897547, DTXCID501778475.

Is Texanol classified as hazardous?

Hazard statements reported: H320, H402.

What are the key physical properties of Texanol?

Boiling Point: 471 °F at 760 mmHg (USCG, 1999); Boiling Point: 255-260 °C; Melting Point: -50 °C; Flash Point: 248 °F (USCG, 1999).

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.