Basic information
- Name:
2-Octanol
- CAS No.:
123-96-6
- Molecular Structure:
- Formula:
- C8H18O
- Molecular Weight:
- 130.26
- Deleted CAS:
- 4128-31-8|113244-40-9
- Synonyms:
- 1-Methyl-1-heptanol;1-Methylheptanol;1-Methylheptyl alcohol;2-Hydroxy-n-octane;2-Hydroxyoctane;2-Octyl alcohol;Capryl alcohol;DL-2-Octanol;Hexylmethylcarbinol;Methylhexylcarbinol;NSC 14759;dl-Methylhexylcarbinol;n-Octan-2-ol;s-Octylalcohol;sec-Caprylic alcohol;b-Octyl alcohol;
- EINECS:
- 204-667-0
- Density:
- 0.823 g/cm3
- Melting Point:
- -38 °C
- Boiling Point:
- 194.7 °C at 760 mmHg
- Flash Point:
- 81.1 °C
- Solubility:
- water: 0.1 g/100 mL (20 °C)
- Appearance:
- colourless liquid with a pungent odour
- Hazard Symbols:
Xi- Risk Codes:
- 36/37/38-36/38
- Safety Description:
- 24/25-36-26 Details
- Transport Information:
- UN 1987
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Chemistry
Molecule structure of 2-Octanol (CAS NO.123-96-6):
IUPAC Name: Octan-2-ol
Molecular Weight: 130.22792 g/mol
Molecular Formula: C8H18O
Density: 0.823 g/cm3
Melting Point: -38 °C
Boiling Point: 194.7 °C at 760 mmHg
Flash Point: 81.1 °C
Index of Refraction: 1.427
Molar Refractivity: 40.64 cm3
Molar Volume: 158 cm3
Surface Tension: 29 dyne/cm
Enthalpy of Vaporization: 50.14 kJ/mol
Vapour Pressure: 0.114 mmHg at 25 °C
Water Solubility: 0.1 g/100 mL (20 °C)
Stability: stable. incompatible with strong oxidizing agents.
XLogP3: 2.9
H-Bond Donor: 1
H-Bond Acceptor: 1
Rotatable Bond Count: 5
Exact Mass: 130.135765
MonoIsotopic Mass: 130.135765
Topological Polar Surface Area: 20.2
Heavy Atom Count: 9
Canonical SMILES: CCCCCCC(C)O
InChI: InChI=1S/C8H18O/c1-3-4-5-6-7-8(2)9/h8-9H,3-7H2,1-2H3
InChIKey: SJWFXCIHNDVPSH-UHFFFAOYSA-N
EINECS: 204-667-0
Uses
2-Octanol (CAS NO.123-96-6) can be used as the raw materials for polyethylene plastic plasticizers, synthetic oil agents, pesticide emulsifier agents, and so on. It also can be used in the preparation for the spices and anti-foaming agent.
Toxicity Data With Reference
| 1. | unr-uns LD50:6934 mg/kg | GISAAA Gigiena i Sanitariya. 51 (5)(1986),61. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Hazard Codes: 
Xi
Risk Statements: 36/37/38-36/38
R36/37/38:Irritating to eyes, respiratory system and skin.
R36/38:Irritating to eyes and skin.
Safety Statements: 24/25-36-26
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
RTECS: RH0795000
HS Code: 29051620
Slightly toxic by an unspecified route. When heated to decomposition it emits acrid smoke and irritating vapors.
Specification
2-Octanol (CAS NO.123-96-6) is also named as 1-Methyl-1-heptanol ; 1-Methylheptyl alcohol ; 2-Hydroxy-n-octane ; 2-Hydroxyoctane ; 2-Octanol (.+-) ; 2-Octanol (natural) ; 2-Octyl alcohol ; AI3-05598 ; Capryl alcohol ; Caprylic alcohol, secondary ; FEMA Number 2801 ; HSDB 5601 ; Hexyl methyl carbinol ; Hexylmethylcarbinol ; Methyl hexyl carbinol ; Methylhexylcarbinol ; NSC 14759 ; beta-Octyl alcohol ; n-Octan-2-ol ; s-Octyl alcohol ; sec-Caprylic alcohol ; secondary Caprylic alcohol . 2-Octanol (CAS NO.123-96-6) is colourless liquid with a pungent odour. It is toxic and flammable. It will produce stimulate smoke when buring. So the storage environment should be ventilate, low-temperature and dry.
