ChemicalBook--->CAS DataBase List--->123-96-6

123-96-6

123-96-6 Structure

123-96-6 Structure
IdentificationMore
[Name]

DL-2-Octanol
[CAS]

123-96-6
[Synonyms]

1-METHYLHEPTANOL
1-METHYLHEPTYL ALCOHOL
2-CAPRYL ALCOHOL
(+/-)-2-OCTANOL
2-OCTANOL
2-OCTYL ALCOHOL
CAPRYL ALCOHOL
DL-2-OCTANOL
ETHYL-N-AMYLCARBINOL
ETHYLPENTYLCARBINOL
FEMA 2801
HEXYL METHYL CARBINOL
METHYL HEXYL CARBINOL
METHYL-N-HEXYLCARBINOL
OCTAN-2-OL
SEC-CAPRYLIC ALCOHOL
SEC-OCTYL ALCOHOL
(2RS)-Octanol
(RS)-2-Octanol
1-Methyl-1-heptanol
[EINECS(EC#)]

204-667-0
[Molecular Formula]

C8H18O
[MDL Number]

MFCD00004591
[Molecular Weight]

130.23
[MOL File]

123-96-6.mol
Chemical PropertiesBack Directory
[Appearance]

colourless liquid with a pungent odour
[Melting point ]

-38 °C
[Boiling point ]

174-181 °C(lit.)
[density ]

0.819 g/mL at 25 °C(lit.)
[vapor pressure ]

0.25 hPa (20 °C)
[FEMA ]

2801
[refractive index ]

n20/D 1.426(lit.)
[Fp ]

160 °F
[storage temp. ]

Store below +30°C.
[solubility ]

1.12g/l
[form ]

Liquid
[pka]

15.44±0.20(Predicted)
[color ]

Clear colorless to slightly yellow
[Odor]

at 10.00 % in dipropylene glycol. fresh spicy green woody herbal earthy
[Stability:]

Stable. Incompatible with strong oxidizing agents. Combustible.
[biological source]

synthetic
[explosive limit]

0.80-7.40%(V)
[Odor Type]

spicy
[Water Solubility ]

0.1 g/100 mL (20 ºC)
[JECFA Number]

289
[Merck ]

14,6752
[BRN ]

1719325
[Henry's Law Constant]

2.7×10-1 mol/(m3Pa) at 25℃, Brockbank (2013)
[Dielectric constant]

5.3(20℃)
[Major Application]

cleaning products
cosmetics
flavors and fragrances
food and beverages
personal care
[Cosmetics Ingredients Functions]

PERFUMING
[InChI]

1S/C8H18O/c1-3-4-5-6-7-8(2)9/h8-9H,3-7H2,1-2H3
[InChIKey]

SJWFXCIHNDVPSH-UHFFFAOYSA-N
[SMILES]

CCCCCCC(C)O
[LogP]

2.86 at 22℃
[CAS DataBase Reference]

123-96-6(CAS DataBase Reference)
[NIST Chemistry Reference]

2-Octanol(123-96-6)
[EPA Substance Registry System]

123-96-6(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)
GHS05
[Signal word ]

Danger
[Hazard statements ]

H318
[Precautionary statements ]

P280-P305+P351+P338+P310
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
R36/38:Irritating to eyes and skin .
[Safety Statements ]

S24/25:Avoid contact with skin and eyes .
S36:Wear suitable protective clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[RIDADR ]

UN 1987
[WGK Germany ]

1
[RTECS ]

RH0795000
[Autoignition Temperature]

255 - 260 °C
[TSCA ]

Yes
[REACH Registrations]

Active
[HS Code ]

29051620
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Eye Dam. 1
[Hazardous Substances Data]

123-96-6(Hazardous Substances Data)
[Toxicity]

LD50 orally in Rabbit: 6100 mg/kg
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sodium hydroxide-->Castor oil-->Propylene-->HEAVY CUT RESIDUE OIL-->2-Amino-3-chlorobenzoic acid-->Fatty acid mixture-->Ricinoleic acid
[Preparation Products]

Hexanoic acid-->Dioctyl sulfosuccinate sodium salt-->2-Octanone-->2-Octyl cyanoacetate
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

DL-2-Octanol(123-96-6).msds
Hazard InformationBack Directory
[Description]

2-Octanol has a characteristic disagreeable but aromatic odor. This substance may be prepared by distilling sodium ricinoleate with an excess of sodium hydroxide.
[Chemical Properties]

2-Octanol has a characteristically disagreeable, but aromatic odor.
[Chemical Properties]

colourless liquid with a pungent odour
[Occurrence]

Two optically active isomers of the alcohol have been found; reported in the oil of Réunion geranium; also identified in a few species of mint and lavender. Reported found in apple, banana, kumquat peel oil, cranberry, asparagus, peas, thyme, cheeses, chicken and beef fat, hop oil, beer, cognac, rum, grape wines, tea, oats, soybean, coconut meat, Brazil nut, buckwheat, loquat, sweet corn and bilberry wine.
[Uses]

2-Octanol is used as a chemical reagent in the synthesis of a variety of pharmaceutical compounds usually through its oxidation to a ketone or aldehyde. Used in the synthesis of piperine derivates as MAO A & B inhibitors.
[Uses]

It is used in the paint industry, as a wetting agent in the textile industry, and as a component of brake fluids.
[Definition]

ChEBI: An octanol carrying the hydroxy group at position 2.
[Preparation]

By distilling sodium ricinoleate with an excess of sodium hydroxide.
[Production Methods]

2-Octanol is produced commercially by heating a soap of castor oil with sodium hydroxide. The resulting commercial product may contain 2–14% methyl hexyl ketone as a contaminant.
[General Description]

2-Octanol is a fatty alcohol mainly found in castor oil, tomato leaves and wine.
[Safety Profile]

Slightly toxic by an unspecifiedroute. When heated to decomposition it emits acrid smokeand irritating vapors.
Spectrum DetailBack Directory
[Spectrum Detail]

DL-2-Octanol(123-96-6)MS
DL-2-Octanol(123-96-6)1HNMR
DL-2-Octanol(123-96-6)13CNMR
DL-2-Octanol(123-96-6)IR1
DL-2-Octanol(123-96-6)IR2
DL-2-Octanol(123-96-6)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

DL-2-Octanol, 97%(123-96-6)
[Alfa Aesar]

(+/-)-2-Octanol, 98%(123-96-6)
[Sigma Aldrich]

123-96-6(sigmaaldrich)
[TCI AMERICA]

2-Octanol,>98.0%(GC)(123-96-6)
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