| Identification | More | [Name]
3-OCTANOL | [CAS]
589-98-0 | [Synonyms]
3-HYDROXYOCTANE
(+/-)-3-OCTANOL
3-OCTANOL
3-OCTYL ALCOHOL
DL-3-OCTANOL
ETHYL AMYL CARBINOL
ETHYL-N-AMYLCARBINOL
ETHYL-N-PENTYLCARBINOL
ETHYL PENTYL CARBINOL
FEMA 3581
N-AMYLETHYLCARBINOL
OCTANOL,3-
PENTYLETHYLCARBINOL
1-ethylhexanol
3-0ctanol
Amylethylcarbinol
D-n-Octanol
n-Octan-3-ol
Octan-3-ol
n-Amyl ethyl carbinol~Ethyl n-pentyl carbinol | [EINECS(EC#)]
209-667-4 | [Molecular Formula]
C8H18O | [MDL Number]
MFCD00004590 | [Molecular Weight]
130.23 | [MOL File]
589-98-0.mol |
| Chemical Properties | Back Directory | [Appearance]
Clear colorless liquid | [Melting point ]
-45 °C | [Boiling point ]
174-176 °C (lit.) | [density ]
0.818 g/mL at 25 °C(lit.)
| [vapor density ]
~4.5 (vs air)
| [vapor pressure ]
~1 mm Hg ( 20 °C)
| [FEMA ]
3581 | [refractive index ]
n20/D 1.426(lit.)
| [Fp ]
150 °F
| [storage temp. ]
Store below +30°C. | [form ]
Liquid | [pka]
15.44±0.20(Predicted) | [color ]
Clear colorless | [Odor]
strong, nutty odor | [biological source]
synthetic | [Odor Type]
earthy | [Optical Rotation]
-0.267°(C=0.01 g/mL, CHCL3, 20°C, 589nm) | [Water Solubility ]
1.5g/L at 25℃ | [JECFA Number]
291 | [BRN ]
1719310 | [Henry's Law Constant]
3.2×10-1 mol/(m3Pa) at 25℃, Plyasunov and Shock (2000) | [Dielectric constant]
7.0300000000000002 | [Major Application]
flavors and fragrances | [Cosmetics Ingredients Functions]
PERFUMING | [InChI]
1S/C8H18O/c1-3-5-6-7-8(9)4-2/h8-9H,3-7H2,1-2H3 | [InChIKey]
NMRPBPVERJPACX-UHFFFAOYSA-N | [SMILES]
CCCCCC(O)CC | [LogP]
2.73 at 25℃ | [CAS DataBase Reference]
589-98-0(CAS DataBase Reference) | [EPA Substance Registry System]
3-Octanol (589-98-0) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H319 | [Precautionary statements ]
P264-P280-P305+P351+P338-P337+P313 | [Hazard Codes ]
Xi | [Risk Statements ]
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 . | [RIDADR ]
NA 1993 / PGIII | [WGK Germany ]
2
| [RTECS ]
RH0855000
| [TSCA ]
Yes | [REACH Registrations]
Inactive | [HS Code ]
29051690 | [Storage Class]
10 - Combustible liquids | [Hazard Classifications]
Eye Irrit. 2 | [Safety Profile]
A moderate skin and
eye irritant. When heated to decomposition
it emits acrid smoke and irritating fumes. | [Toxicity]
LD50 orally in Rabbit: > 5000 mg/kg LD50 dermal Rabbit > 5000 mg/kg |
| Hazard Information | Back Directory | [Description]
3-Octanol has a sweet, nutty, warm, herbaceous odor. Can be
prepared in the racemic form by reduction of ethyl-n-amyl ketone
with sodium in ether solution. | [Chemical Properties]
3-Octanol has a sweet, oily, nutty, warm, herbaceous odor. | [Chemical Properties]
3-Octanol may occur
in its optically active form. It is a colorless liquid that has a mushroomy–earthy
odor and occurs in mushrooms. 3-Octanol can be obtained by hydrogenation of
3-octanone; it is used in lavender compositions and for impartingmushroom-like
odors. | [Chemical Properties]
Clear colorless liquid | [Occurrence]
It has been identified (free and esterified) in a variety of mint; also reported in lavender and the essential oils of
Mentha arvenis var. piperascens and Mentha spicata. Also reported found in apple, banana, cranberry, grapes, papaya, strawberry,
sourcherry, lemon, blackberry, Swiss cheese, pork, peas, potato, ginger, Mentha oils, thyme, fish, fried beef, cognac, rum, grape
wines, coffee, tea, oats, soybean, mushroom, sweet marjoram, kelp, buckwheat, lemon balm, dried bonito, truffle, passionfruit and
pepino fruit (Solanum muricatum). | [Uses]
3-Octanol may be used as a reference standard in the determination of the analyte in herb plants using gas chromatography coupled with mass spectrometry (GC-MS). | [Uses]
3-Octanol was used as reference compound in detection of volatile metabolites from five fungal species cultivated on two media. | [Uses]
3-Octanol is a liquid produced by hydrogenation of ethyl namyl
ketone. It is used in fragrances and as an artificial
flavoring in foods. | [Definition]
ChEBI: Octan-3-ol is an aliphatic alcohol that is octane substituted by a hydroxy group at position 3. It has a role as a metabolite. It is an aliphatic alcohol and an octanol. | [Preparation]
Can be prepared in the racemic form by reduction of ethyl-n-amyl ketone with sodium in ether solution. | [Aroma threshold values]
Detection: 18 to 250 ppb. Aroma characteristics at 5.0%: earthy, mushroom, diry, musty, creamy, waxy
with a slight fermented green minty nuance. | [Taste threshold values]
Taste characteristics at 5 ppm: musty, mushroom, earthy, creamy dairy, dirty with an herbal, minty nuance. | [General Description]
Influence of environment of the TiO2 photocatalyst on the rate of photocatalytic oxidation of liquid 3-octanol has been investigated. | [Flammability and Explosibility]
Notclassified | [Biochem/physiol Actions]
Taste at 10 ppm |
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