ChemicalBook Product Catalog Chemical Reagents Organic reagents Fatty alcohols 2,5-Hexanediol

2,5-Hexanediol

Product Name2,5-Hexanediol
CAS2935-44-6
MFC6H14O2
MW118.17
EINECS220-910-3
MOL File2935-44-6.mol

Chemical Properties

Melting point	43°C
Boiling point	216-218 °C (lit.)
Density	0.961 g/mL at 25 °C (lit.)
refractive index	n20/D 1.447(lit.)
Flash point	215 °F
storage temp.	2-8°C
form	clear liquid
pka	14.87±0.20(Predicted)
color	Colorless to Light orange to Yellow
Water Solubility	Soluble
BRN	1719248
Henry's Law Constant	1.4×10⁴ mol/(m³Pa) at 25℃, Compernolle and Müller (2014)
Cosmetic Ingredient Review (CIR)	2,5-Hexanediol (2935-44-6)
InChI	1S/C6H14O2/c1-5(7)3-4-6(2)8/h5-8H,3-4H2,1-2H3
InChIKey	OHMBHFSEKCCCBW-UHFFFAOYSA-N
SMILES	CC(O)CCC(C)O
LogP	-0.060 (est)
Surface tension	31.9mN/m at 293.15K
CAS DataBase Reference	2935-44-6(CAS DataBase Reference)
NIST Chemistry Reference	2,5-Hexanediol(2935-44-6)
EPA Substance Registry System	2,5-Hexanediol (2935-44-6)

Safety Information

Hazard Codes	Xn
Risk Statements	22-36/37/38
Safety Statements	26-36-37/39
WGK Germany	3
RTECS	MO2275000
TSCA	TSCA listed
HS Code	29053990
Storage Class	10 - Combustible liquids
Hazard Classifications	Acute Tox. 4 Oral Eye Irrit. 2 Skin Irrit. 2 STOT SE 3

MSDS

Provider	Language
ACROS	English
SigmaAldrich	English
ALFA	English

Usage And Synthesis

Description

2,5-Hexanediol is an alcohol compound with hydroxyl functional groups that can be used in the synthesis of polyesters.

Chemical Properties

clear colorless to light yellow viscous liquid

Uses

2,5-Hexanediol is used as an organic chemical synthesis intermediate.

Definition

ChEBI: Hexane-2,5-diol is a glycol that is hexane substituted by hydroxy groups at positions 2 and 5. It is a glycol and a secondary alcohol. It derives from a hydride of a hexane.

Toxicity evaluation

2,5-Hexanediol is a metabolite of hexane, the chronic toxicity of which is attributed to hexane-2,5-dione and which causes polyneuropathy in humans following long-term exposure. Oral administration of 2,5-Hexanediol to rats also showed signs of central and peripheral neuropathy, weakness and even paralysis of the hind limbs. It also impairs immunocompetence in mice, as evidenced by reduced lymphoid organ weights, histological abnormalities in the thymus, spleen and adrenal glands, cytopenia of lymphoid organs and reduced resistance to endotoxic shock^[1~3].

References

[1] S K GOEL; C R K; G S Rao. Toxicity of n-hexane and 2,5-hexanediol to the haemopoietic system: a preliminary report.[J]. Xenobiotica, 1987, 17 2: 217-222. DOI:10.3109/00498258709043931.
[2] K. KANNAN . Effect of 2,5-hexanediol on immunocompetence of mice[J]. Environmental Research, 1985, 36 1: Pages 14-25. DOI:10.1016/0013-9351(85)90003-9.
[3] ANNELIESE EBEN. Toxicological and metabolic studies of methyl n-butylketone, 2,5-hexanedione, and 2,5-hexanediol in male rats[J]. Ecotoxicology and Environmental Safety, 1979, 3 2: Pages 204-217. DOI:10.1016/0147-6513(79)90012-5.

2,5-Hexanediol

Chemical Properties

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