| Identification | More | [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 Properties | Back 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. | [biological source]
synthetic | [Odor Type]
winey | [Water Solubility ]
Soluble in water (13 g/L at 25°C), | [BRN ]
1718996 | [Cosmetics Ingredients Functions]
PERFUMING | [InChI]
1S/C6H14O/c1-3-4-5-6(2)7/h6-7H,3-5H2,1-2H3 | [InChIKey]
QNVRIHYSUZMSGM-UHFFFAOYSA-N | [SMILES]
CCCCC(C)O | [LogP]
1.702 (est) | [CAS DataBase Reference]
626-93-7(CAS DataBase Reference) | [EPA Substance Registry System]
2-Hexanol (626-93-7) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS02 | [Signal word ]
Warning | [Hazard statements ]
H226 | [Precautionary statements ]
P210 | [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 | [Storage Class]
3 - Flammable liquids | [Hazard Classifications]
Flam. Liq. 3 |
| Hazard Information | Back 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 |
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Alfa Aesar
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Maya High Purity Chemicals
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Sigma-Aldrich
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