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

Product Name2,2,4-Trimethyl-1,3-pentanediol
CAS144-19-4
MFC8H18O2
MW146.23
EINECS205-619-1
MOL File144-19-4.mol

Chemical Properties

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
Henry's Law Constant	2.2×10² mol/(m³Pa) at 25℃, Duchowicz et al. (2020)
Cosmetics Ingredients Functions	SOLVENT
InChI	1S/C8H18O2/c1-6(2)7(10)8(3,4)5-9/h6-7,9-10H,5H2,1-4H3
InChIKey	JCTXKRPTIMZBJT-UHFFFAOYSA-N
SMILES	CC(C)C(O)C(C)(C)CO
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 Information

Hazard Codes	Xi
Risk Statements	36/37/38
Safety Statements	26-37/39
WGK Germany	1
RTECS	SA1400000
TSCA	TSCA listed
HS Code	2905.39.9000
Storage Class	11 - Combustible Solids
Hazard Classifications	Acute Tox. 4 Oral Eye Irrit. 2 Skin Irrit. 2 STOT SE 3
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.

MSDS

Provider	Language
ACROS	English
SigmaAldrich	English
ALFA	English

Usage And Synthesis

Chemical Properties

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

Chemical Properties

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

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

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

Uses

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

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).

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

Chemical Properties

Safety Information

MSDS

Usage And Synthesis

Preparation Products And Raw materials

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