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2-HEXANOL

CAS No.626-93-7
Chemical Name:2-HEXANOL
CBNumber:CB4206422
Molecular Formula:C6H14O
Formula Weight:102.17
MOL File:626-93-7.mol

2-HEXANOL Property

Melting point -23 °C
Boiling point 136 °C (lit.)
Density 0.814 g/mL at 20 °C 0.81 g/mL at 25 °C (lit.)
refractive index n20/D 1.414(lit.)
Flash point 115 °F
storage temp. Flammables area
form Liquid
pka 15.31±0.20(Predicted)
color Clear colorless
Odor at 1.00 % in dipropylene glycol. chemical winey fruity fatty terpenic cauliflower
Odor Type winey
biological source synthetic
Water Solubility Soluble in water (13 g/L at 25°C),
BRN 1718996
Stability Stable. Combustible. Incompatible with strong oxidizing agents. Mixtures with air may be explosive.
InChIKey QNVRIHYSUZMSGM-UHFFFAOYSA-N
LogP 1.702 (est)
CAS DataBase Reference 626-93-7(CAS DataBase Reference)
EWG's Food Scores 1
FDA UNII 9CDT0V6T4P
EPA Substance Registry System 2-Hexanol (626-93-7)
UNSPSC Code 85151701
NACRES NA.24

Safety

Hazard Codes :Xn,Xi
Risk Statements :10-36/37/38-22
Safety Statements :16-26-36
RIDADR :UN 2282 3/PG 3
WGK Germany :1
RTECS :MO8470000
TSCA :Yes
HazardClass :3.2
PackingGroup :III
HS Code :29051990

NFPA 704:

	3
		0

Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal wordWarning
Hazard statements H226
Precautionary statements P210

2-HEXANOL Price More Price(8)

Brand: Sigma-Aldrich(India)
Product number: 41513
Product name : 2-Hexanol
Purity: analytical standard
Packaging: 1ML
Price: ₹5087.75
Updated: 2022/06/14
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Brand: Sigma-Aldrich(India)
Product number: 128570
Product name : 2-Hexanol
Purity: 99%
Packaging: 25G
Price: ₹7144.5
Updated: 2022/06/14
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Brand: Sigma-Aldrich(India)
Product number: 128570
Product name : 2-Hexanol
Purity: 99%
Packaging: 100G
Price: ₹23133.03
Updated: 2022/06/14
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Brand: ALFA India
Product number: ALF-L05993-22
Product name : (+/-)-2-Hexanol, 99%
Purity:
Packaging: 100g
Price: ₹14160
Updated: 2022/05/26
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Brand: TCI Chemicals (India)
Product number: H0131
Product name : 2-Hexanol
Purity: min. 98.0 %
Packaging: 25ML
Price: ₹4200
Updated: 2022/05/26
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2-HEXANOL Chemical Properties,Usage,Production

Chemical Properties colourless liquid
Occurrence Found among the constituents of several essential oils and aromas, notably apple, strawberry, tea, violet , Java citronella. Bourbon geranium, lavender, lavandin, spike, Litsea zeylanica; also identified in bitter orange . Preparation: By reduction of ethyl caproate with sodium alcoholate or by any other suitable means.
Uses (+/-)-2-Hexanol is s an important raw material and intermediate used in Organic Synthesis, Pharmaceuticals, Agrochemicals and Dyestuff field. It is used as perfuming agent.
Definition ChEBI: Hexan-2-ol is a hexanol in which the hydroxy group is at position 2. It has a role as a semiochemical, a plant metabolite and a human metabolite. It is a secondary alcohol and a hexanol.
Synthesis Reference(s) Journal of the American Chemical Society, 89, p. 1522, 1967 DOI: 10.1021/ja00982a043
Toxicity evaluation The acute oral LD₅₀ in mice was reported as 4 g/kg and in rats as 4.87 g/kg and 4.59 g/kg . The acute dermal LD₅₀ in rabbits was reported as 3.1 ml/kg and as > 5 g/kg . The maximum period of survival of rats inhaling the saturated vapours of hexanol was reported as 8 hr . Gerarde & Ahlstrom found that aspiration of 0-2 ml alcohol C-6 caused respiratory arrest and instant death. Scala & Burtis studied the acute toxicity of commercial grade hexanol by several routes of administration in various species. The acute oral LD₅₀ in rats was 3.67 g/kg and the acute dermal LD₅₀ in rabbits was >2.6 g/kg. Dermal application resulted in signs of CNS toxicity. Inhalation exposure of mice, rats and guineapigs to atmospheres nearly saturated with the hexanol preparation for 6 hr elicited a questionable effect on CNS activity, moderate (but reversible) local irritation mainly involving the mucous membranes and slight lung congestion.
General Description 2-Hexanol is one of the constituent of Porella arboris-vitae extracts which has been determined by solid phase microextraction, gas chromatography-mass spectrometry (SPME GC-MS).
Metabolism n-Hexanol is metabolized by direct conjugation with glucuronic acid and by oxidation to the carboxylic acid and eventually to CO₂. In the rabbit, direct conjugation is a minor pathway and oxidation the major pathway