ChemicalBook--->CAS DataBase List--->589-98-0

589-98-0

589-98-0 Structure

589-98-0 Structure
IdentificationMore
[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 PropertiesBack 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
[Odor Type]

earthy
[Water Solubility ]

1.5g/L at 25℃
[JECFA Number]

291
[BRN ]

1719310
[Dielectric constant]

7.0300000000000002
[LogP]

2.73 at 25℃
[CAS DataBase Reference]

589-98-0(CAS DataBase Reference)
[EPA Substance Registry System]

3-Octanol (589-98-0)
Safety DataBack Directory
[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
[HS Code ]

29051690
[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
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sodium-->Octanoic acid-->Caprylic acid methyl ester-->3-OCTYL ACETATE-->TRANS-2-OCTENE-->2-Octanol-->1-Octyn-3-ol-->3-Octanone
Hazard InformationBack 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
Spectrum DetailBack Directory
[Spectrum Detail]

3-OCTANOL(589-98-0)1HNMR
3-OCTANOL(589-98-0)IR
3-OCTANOL(589-98-0)FT-IR
3-OCTANOL(589-98-0)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

DL-3-Octanol, 97%(589-98-0)
[Alfa Aesar]

3-Octanol, 97%(589-98-0)
[Sigma Aldrich]

589-98-0(sigmaaldrich)
[TCI AMERICA]

3-Octanol,>98.0%(GC)(589-98-0)
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