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ChemicalBook--->CAS DataBase List--->626-93-7

626-93-7

626-93-7 Structure

626-93-7 Structure
IdentificationMore
[Name]

2-HEXANOL
[CAS]

626-93-7
[Synonyms]

(+/-)-2-HEXANOL
2-HEXANOL
2-HEXYL ALCOHOL
ALCOHOL C6
BUTYL METHYL CARBINOL
N-BUTYLMETHYLCARBINOL
2-hydroxyhexane
hexan-2-ol
Hexanol-(2)
n-C4H9CH(OH)CH3
n-Hexan-2-ol
2-HEXANOL 98+%
(±)-2-Hexanol,99%
(n)-2-hexanol
n-Hexanol-2
(RS)-2-Hexanol
(±)-2-Hexanol, Butyl methyl carbinol
1-Methylpentane-1-ol
[EINECS(EC#)]

210-971-4
[Molecular Formula]

C6H14O
[MDL Number]

MFCD00004585
[Molecular Weight]

102.17
[MOL File]

626-93-7.mol
Chemical PropertiesBack Directory
[Appearance]

colourless liquid
[Melting point ]

-23 °C
[Boiling point ]

136 °C (lit.)
[density ]

0.81 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.414(lit.)
[Fp ]

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
[Stability:]

Stable. Combustible. Incompatible with strong oxidizing agents. Mixtures with air may be explosive.
[Odor Type]

winey
[Water Solubility ]

Soluble in water (13 g/L at 25°C),
[BRN ]

1718996
[InChIKey]

QNVRIHYSUZMSGM-UHFFFAOYSA-N
[LogP]

1.702 (est)
[CAS DataBase Reference]

626-93-7(CAS DataBase Reference)
[EPA Substance Registry System]

2-Hexanol (626-93-7)
Safety DataBack Directory
[Hazard Codes ]

Xn,Xi
[Risk Statements ]

R10:Flammable.
R36/37/38:Irritating to eyes, respiratory system and skin .
R22:Harmful if swallowed.
[Safety Statements ]

S16:Keep away from sources of ignition-No smoking .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[RIDADR ]

UN 2282 3/PG 3
[WGK Germany ]

1
[RTECS ]

MO8470000
[TSCA ]

Yes
[HazardClass ]

3.2
[PackingGroup ]

III
[HS Code ]

29051990
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2-hexanol(626-93-7).msds
Hazard InformationBack Directory
[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
Spectrum DetailBack Directory
[Spectrum Detail]

2-HEXANOL(626-93-7)MS
2-HEXANOL(626-93-7)1HNMR
2-HEXANOL(626-93-7)13CNMR
2-HEXANOL(626-93-7)IR1
2-HEXANOL(626-93-7)IR2
2-HEXANOL(626-93-7)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2-Hexanol, 99%(626-93-7)
[Alfa Aesar]

(+/-)-2-Hexanol, 99%(626-93-7)
[Sigma Aldrich]

626-93-7(sigmaaldrich)
[TCI AMERICA]

2-Hexanol,>98.0%(GC)(626-93-7)
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