ChemicalBook--->CAS DataBase List--->2935-44-6

2935-44-6

2935-44-6 Structure

2935-44-6 Structure
IdentificationMore
[Name]

2,5-Hexanediol
[CAS]

2935-44-6
[Synonyms]

2,5-DIHYDROXYHEXANE
2,5-HEXANEDIOL
2,5-HEXYLENE GLYCOL
HEXANEDIOL
Diisopropanol
Hexan-2,5-diol
hexane-2,5-diol
2,5-Hexanediol 3 M Solution
2,5-HEXANEDIOL, 99%, mixture of isomers
2,5-Hexanediol, pract., 98%
2,5-hexanediol, mixture of isomers
2,5-hexanediole
2,5-hexylenglycol
2,5-Hexanediol , 98%, pract
1,4-Dimethyltetramethylene glycol
[EINECS(EC#)]

220-910-3
[Molecular Formula]

C6H14O2
[MDL Number]

MFCD00004557
[Molecular Weight]

118.17
[MOL File]

2935-44-6.mol
Chemical PropertiesBack Directory
[Appearance]

clear colorless to light yellow viscous liquid
[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.)
[Fp ]

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
[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]

2935-44-6(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S37/39:Wear suitable gloves and eye/face protection .
[WGK Germany ]

3
[RTECS ]

MO2275000
[TSCA ]

Yes
[HS Code ]

29053990
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Preparation Products]

2,5-Dimethyl-2,4-hexadiene-->2,5-Dimethyl-2,5-hexanediol-->1,4-Dimethyl-6-nitro-9H-carbazole-->3-[2-(2,5-Dimethyl-1H-pyrrol-1-yl)ethyl]-1H-indole
Hazard InformationBack Directory
[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: A glycol that is hexane substituted by hydroxy groups at positions 2 and 5.
[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.
Spectrum DetailBack Directory
[Spectrum Detail]

2,5-Hexanediol(2935-44-6)1HNMR
2,5-Hexanediol(2935-44-6)IR1
2,5-Hexanediol(2935-44-6)IR2
2,5-Hexanediol(2935-44-6)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2,5-Hexanediol, pract., 98%(2935-44-6)
[Alfa Aesar]

2,5-Hexanediol, mixture of isomers, 98%(2935-44-6)
[Sigma Aldrich]

2935-44-6(sigmaaldrich)
[TCI AMERICA]

2,5-Hexanediol,>98.0%(GC)(2935-44-6)
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