| Identification | More | [Name]
2-Ethylhexanol | [CAS]
104-76-7 | [Synonyms]
1-ETHYL-N-AMYLCARBINOL
2EH
2-ETHYL-1-HEXANOL
2-ETHYLHEXANOL
2-ETHYLHEXYL ALCOHOL
ALCOHOL C8
ETHYL-1-HEXANOL, 2-
FEMA 3151
ISOOCTANOL
ISOOCTYL ALCOHOL
'ISOOCTYL ALCOHOL'
OCTANOL
OCTYL ALCOHOL
1-hexanol,2-ethyl-
2-aethylhexanol
2-ethvlhexanol
2-ethyl-1-hexano
2-ethyl2-hexan-1-o1
2-ethylhexan-
2-ethylhexanol(flammableliquids,n.o.s.) | [EINECS(EC#)]
203-234-3 | [Molecular Formula]
C8H18O | [MDL Number]
MFCD00004746 | [Molecular Weight]
130.23 | [MOL File]
104-76-7.mol |
| Chemical Properties | Back Directory | [Appearance]
colourless liquid | [Melting point ]
−76 °C(lit.)
| [Boiling point ]
183-186 °C(lit.)
| [density ]
0.833 g/mL at 25 °C(lit.)
| [vapor density ]
4.49 (vs air)
| [vapor pressure ]
0.2 mm Hg ( 20 °C)
| [FEMA ]
3151 | [refractive index ]
n20/D 1.431(lit.)
| [Fp ]
171 °F
| [storage temp. ]
Store below +30°C. | [solubility ]
water: solubleg/L at 20°C | [form ]
Liquid | [pka]
15.05±0.10(Predicted) | [color ]
Clear | [Odor]
sweet. | [PH]
7 (1g/l, H2O, 20℃) | [Stability:]
Stable. Combustible. Incompatible with strong oxidizing agents, strong acids. | [explosive limit]
0.88%, 104°F | [Odor Threshold]
0.013ppm | [Odor Type]
citrus | [Water Solubility ]
1 g/L (20 ºC) | [JECFA Number]
267 | [Merck ]
14,3808 | [BRN ]
1719280 | [Dielectric constant]
3.4（18℃） | [InChIKey]
YIWUKEYIRIRTPP-UHFFFAOYSA-N | [LogP]
2.9 at 25℃ | [CAS DataBase Reference]
104-76-7(CAS DataBase Reference) | [NIST Chemistry Reference]
1-Hexanol, 2-ethyl-(104-76-7) | [EPA Substance Registry System]
104-76-7(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn,Xi | [Risk Statements ]
R37/38:Irritating to respiratory system and skin .
R41:Risk of serious damage to eyes.
R36:Irritating to the eyes.
R21:Harmful in contact with skin. | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/39:Wear suitable protective clothing and eye/face protection .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S36:Wear suitable protective clothing . | [WGK Germany ]
2
| [RTECS ]
MP0350000
| [Autoignition Temperature]
550 °F | [TSCA ]
Yes | [HS Code ]
29051610 | [HS Code ]
29339990 | [Safety Profile]
Moderately toxic by
ingestion, skin contact, intraperitoneal,
subcutaneous, and parented routes. An
experimental teratogen. Other experimental
reproductive effects. A severe eye and
moderate skin irritant. Mutation data
reported. A dangerous fire hazard when ex posed to heat or flame; can react vigorously
with oxidzing materials. To fight fire, use
foam, CO2, dry chemical. When heated to
decomposition it emits acrid smoke and
fumes. See also ALCOHOLS. | [Hazardous Substances Data]
104-76-7(Hazardous Substances Data) | [Toxicity]
LD50 orally in Rabbit: 3730 mg/kg LD50 dermal Rat > 3000 mg/kg |
| Hazard Information | Back Directory | [General Description]
A dark brown liquid with an aromatic odor. Insoluble in water and less dense than water. Flash point between 140-175°F. Contact may irritate skin, eyes and mucous membranes. May be toxic by ingestion, inhalation and skin absorption. | [Reactivity Profile]
2-ETHYL HEXANOL(104-76-7) is an alcohol. Flammable and/or toxic gases are generated by the combination of alcohols with alkali metals, nitrides, and strong reducing agents. They react with oxoacids and carboxylic acids to form esters plus water. Oxidizing agents convert them to aldehydes or ketones. Alcohols exhibit both weak acid and weak base behavior. They may initiate the polymerization of isocyanates and epoxides. This compound is incompatible with strong oxidizing agents and strong acids. | [Air & Water Reactions]
Insoluble in water. | [Health Hazard]
Anesthesia, nausea, headache, dizziness; mildly irritating to skin and eyes. | [Fire Hazard]
This chemical is combustible. | [Chemical Properties]
2-Ethyl-1-hexanol has a mild, oily, sweet, slightly floral odor reminiscent of rose and sweet, fatty-floral taste with a
fruity note | [Chemical Properties]
2-Ethylhexanol is a clear, colorless liquid. | [Chemical Properties]
colourless liquid | [Occurrence]
Reported found in papaya, peach, pear, blackberry, strawberry, cabbage, Parmesan and mozzarella cheese,
butter, roasted chicken, cognac, sherry, grape wines, tea, avocado, kiwifruit, crab and clam. | [Uses]
2-Ethylhexanol is the most important C8 alcohol and is used
mainly in manufacturing plasticizers. Other minor uses
include the manufacturing of 2-ethylhexyl acrylate, as a
dispersing agent and wetting agent, as a solvent for gums
and resins, as a cosolvent for nitrocellulose, and in ceramics,
paper coatings, rubber latex, textiles, and fragrances. | [Application]
2-Ethyl-1-hexanol is suitable for use in a study to compare its susceptibilities of dynamic heat capacity and dielectric polarization under isothermal conditions. It may be used to study lipase-catalyzed transesterification (alcoholysis) of rapeseed oil and 2-ethyl-1-hexanol in the absence of solvent. 2-Ethyl-1-hexanol may be used in broadband dielectric spectroscopy studies of the polyalcohols-glycerol, xylitol and sorbitol. It may be used in the preparation of porous beads. | [Definition]
ChEBI: 2-Ethylhexanol is a primary alcohol that is hexan-1-ol substituted by an ethyl group at position 2. It has a role as a volatile oil component and a plant metabolite. | [Preparation]
2-ethylhexanol synthesis: Condensation of acetaldehyde into butanol aldehyde, dehydration to obtain crotonaldehyde, hydrogenation to n-butyraldehyde, condensation dehydration to obtain 2-ethyl-2-hexenal, and then hydrogenation to obtain 2-ethylhexanol. | [Chemical Reactivity]
Reactivity with Water No reaction; Reactivity with Common Materials: No reactions; Stability During Transport: Stable; Neutralizing Agents for Acids and Caustics: Not pertinent; Polymerization: Not pertinent; Inhibitor of Polymerization: Not pertinent. | [Synthesis]
By hydrogenation of aldehydes obtained by the oxo process; also synthesized from propylene; by catalytic reduction of
2-ethyl-2-hexenal and other similar patented processes. | [Carcinogenicity]
Male and female F344 rats
were dosed by oral gavage with 0, 50, 150, or 500 mg/kg
2-ethylhexanol (0.005% in aqueous Cremophor EL, a polyoxyl
35 castor oil), 5 days/week for 2 years. There were no
differences of biological importance between the vehicle
control and a water control group that was included in the
study. There was no evidence of treatment-related neoplastic
lesions in any of the exposed groups. |
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