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| CAS No.: | 18409-17-1 |
|---|---|
| Name: | trans-2-Octen-1-ol |
| Article Data: | 73 |
| Molecular Structure: | |
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| Formula: | C8H16 O |
| Molecular Weight: | 128.214 |
| Synonyms: | 2-Octen-1-ol,(E)- (8CI); (2E)-Oct-2-en-1-ol; (E)-2-Octen-1-ol; (E)-2-Octenol;n-Oct-trans-2-en-1-ol; trans-2-Octen-1-ol; trans-2-Octenol |
| EINECS: | 242-288-2 |
| Density: | 0.85 |
| Melting Point: | -31.5°C (estimate) |
| Boiling Point: | 195.8 °C at 760 mmHg ，85-87 °C10 mm Hg(lit.) |
| Flash Point: | 85 ºC |
| Solubility: | Soluble in hexane, triacetin; Insoluble in water |
| Appearance: | Clear colourless liquid |
| Hazard Symbols: |
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| Risk Codes: | R36/38 |
| Safety: | 24 25 26 36 |
| PSA: | 20.23000 |
| LogP: | 2.11520 |
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Chemistry
Molecule structure of trans-2-Octen-1-ol (CAS NO.18409-17-1):
IUPAC Name: (E)-Oct-2-en-1-ol
Molecular Weight: 128.21204 [g/mol]
Molecular Formula: C8H16O
Index of Refraction: 1.449
Molar Refractivity: 40.7 cm3
Molar Volume: 151.7 cm3
Polarizability: 16.13×10-24 cm3
Surface Tension: 29.7 dyne/cm
Density: 0.845 g/cm3
Flash Point: 78.1 °C
Enthalpy of Vaporization: 50.26 kJ/mol
Boiling Point: 195.8 °C at 760 mmHg
Vapour Pressure: 0.107 mmHg at 25 °C
Water Solubility: insoluble
XLogP3-AA: 2.5
H-Bond Donor: 1
H-Bond Acceptor: 1
Rotatable Bond Count: 5
Exact Mass: 128.120115
MonoIsotopic Mass: 128.120115
Topological Polar Surface Area: 20.2
Heavy Atom Count: 9
Complexity: 67
Defined Bond StereoCenter Count 1
Covalently-Bonded Unit Count 1
Canonical SMILES: CCCCCC=CCO
Isomeric SMILES: CCCCC/C=C/CO
InChI: InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h6-7,9H,2-5,8H2,1H3/b7-6+
InChIKey: AYQPVPFZWIQERS-VOTSOKGWSA-N
EINECS: 242-288-2
Product Categories of trans-2-Octen-1-ol (CAS NO.18409-17-1): Acyclic; Alkenes; Organic Building Blocks; Alphabetical Listings; Flavors and Fragrances; O-P
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: 26-36-36/37-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
S36/37:Wear suitable protective clothing and gloves.
S37/39:Wear suitable gloves and eye/face protection.
WGK Germany: 3
Specification
trans-2-Octen-1-ol (CAS NO.18409-17-1) is also named as (E)-2-Octen-1-ol ; 2-Octen-1-ol ; (E)-Oct-2-en-1-ol ; 2-Octen-1-ol, (2E)- ; 2-Octen-1-ol, (E)-; 2-Octen-1-ol, (2E)- . trans-2-Octen-1-ol (CAS NO.18409-17-1) is clear colorless liquid.