2,2,4-Trimethyl-1,3-pentanediol Property

Melting point:

50-53 °C (lit.)

Boiling point:

232 °C (lit.)

Density 

0,937 g/cm³

vapor pressure 

0.314Pa at 20℃

refractive index 

1.4513

Flash point:

>230 °F

storage temp. 

Sealed in dry,Room Temperature

solubility 

Chloroform, Methanol

form 

Solid

pka

14.81±0.20(Predicted)

color 

Off-White

Water Solubility 

31.5g/L at 20℃

BRN 

1698098

InChIKey

JCTXKRPTIMZBJT-UHFFFAOYSA-N

LogP

1.25 at 22℃

CAS DataBase Reference

144-19-4(CAS DataBase Reference)

NIST Chemistry Reference

1,3-Pentanediol, 2,2,4-trimethyl-(144-19-4)

EPA Substance Registry System

2,2,4-Trimethyl-1,3-pentanediol (144-19-4)

Safety

Hazard Codes 

Xi

Risk Statements 

36/37/38

Safety Statements 

26-37/39

WGK Germany 

1

RTECS 

SA1400000

TSCA 

Yes

HS Code 

2905.39.9000

Hazardous Substances Data

144-19-4(Hazardous Substances Data)

Toxicity

guinea pig,LD50,oral,2gm/kg (2000mg/kg),Toxicology and Applied Pharmacology. Vol. 29, Pg. 87, 1974.

Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H302Harmful if swallowed

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P270Do not eat, drink or smoke when using this product.

P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

2,2,4-Trimethyl-1,3-pentanediol Chemical Properties,Usage,Production

Chemical Properties

2,2,4-Trimethyl-1,3-pentanediol is a somewhat volatile liquid.

Chemical Properties

(96% pure): White solid. Slightly soluble in water; soluble in alcohol, acetone, ether, and benzene. Combustible.

Uses

Main uses of 2,2,4-Trimethyl-1,3-pentanediol are as a component of polyester resins used in food packaging and as an insect repellent. Industrial exposure is likely to be by direct contact with the liquid. Vapors or mists may be encountered under some conditions.

Uses

2,2,4-Trimethyl-1,3-pentanediol is used in the synthesis of monoisobutyrate derivatives used in film forming auxilleries in paint substances.

Uses

Polyester resins, plasticizers, lubricants, surface coatings and printing inks, insect repellent.

Production Methods

2,2,4-Trimethyl-1,3-pentanediol is made by reacting isobutyryl chloride with ethyl isobutyrate.

Definition

2,2,4-Trimethyl-1,3-pentanediol (TMPD) glycol, with one primary and one secondary hydroxyl function, shows the typical reactivity of a diol. In comparison to other diols, such as 1,4-cyclohexanedimethanol) or NPG (Neopentyl glycol), TMPD glycol has an unsymmetrical structure and shielded hydroxyl groups.    

Flammability and Explosibility

Non flammable

Toxicology

2,2,4-trimethyl-1,3-pentanediol (TMPD Glycol) is classified as "slightly toxic". In rabbits, moderate eye irritation was observed. Slight to no skin irritation occurred in guinea pigs, and no skin sensitization was found. Repeated skin application studies in humans gave no evidence of irritation, sensitization, photosensitization, or systemic toxic effects. In humans, TMPD glycol is rapidly excreted in the urine, partly unchanged, partly as the glucuronide and sulfate conjugates, and partly as 2,2,4-trimethyl-3-hydroxyvaleric acid. LD50 2000 (rat, oral), LD50 145 (rat, intravenous).