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CAS No.: | 18479-58-8 |
---|---|
Name: | 2,6-Dimethyl-7-octen-2-ol |
Article Data: | 16 |
Molecular Structure: | |
Formula: | C10H20O |
Molecular Weight: | 156.268 |
Synonyms: | 1,1,5-Trimethyl-6-heptenol;3,7-Dimethyl-1-octen-7-ol;Dihydromyrcenol; |
EINECS: | 242-362-4 |
Density: | 0.837 g/cm3 |
Boiling Point: | 188.4 °C at 760 mmHg |
Flash Point: | 76.7 °C |
Solubility: | 939mg/L at 20℃ |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37 |
PSA: | 20.23000 |
LogP: | 2.74970 |
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Molecule structure of 2,6-Dimethyl-7-octen-2-ol (CAS NO.18479-58-8):
IUPAC Name: 2,6-Dimethyloct-7-en-2-ol
Molecular Weight: 156.2652 g/mol
Molecular Formula: C10H20O
Density: 0.837 g/cm3
Boiling Point: 188.4 °C at 760 mmHg
Flash Point: 76.7 °C
Index of Refraction: 1.443
Molar Refractivity: 49.56 cm3
Molar Volume: 186.6 cm3
Polarizability: 19.64×10-24 cm3
Surface Tension: 27.7 dyne/cm
Enthalpy of Vaporization: 49.42 kJ/mol
Vapour Pressure: 0.166 mmHg at 25 °C
XLogP3-AA: 2.9
H-Bond Donor: 1
H-Bond Acceptor: 1
Rotatable Bond Count: 5
Exact Mass: 156.151415
MonoIsotopic Mass: 156.151415
Topological Polar Surface Area: 20.2
Heavy Atom Count: 11
Complexity: 116
Canonical SMILES: CC(CCCC(C)(C)O)C=C
InChI: InChI=1S/C10H20O/c1-5-9(2)7-6-8-10(3,4)11/h5,9,11H,1,6-8H2,2-4H3
InChIKey: XSNQECSCDATQEL-UHFFFAOYSA-N
EINECS: 242-362-4
Classification Code of 2,6-Dimethyl-7-octen-2-ol (CAS NO.18479-58-8): Skin / Eye Irritant
1. | skn-rbt 500 mg/24H MLD | FCTXAV Food and Cosmetics Toxicology. 12 (1974),525. | ||
2. | orl-rat LD50:3600 mg/kg | FCTXAV Food and Cosmetics Toxicology. 12 (1974),525. |
Reported in EPA TSCA Inventory.
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37:Wear suitable protective clothing and gloves.
WGK Germany: 1
RTECS: RH3420000
Moderately toxic by ingestion. A skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes.
2,6-Dimethyl-7-octen-2-ol (CAS NO.18479-58-8) is also named as 7-Octen-2-ol, 2,6-dimethyl- ; BRN 1840872 ; Dihydromyrcenol ; (1)-2,6-Dimethyloct-7-en-2-ol .