Product Name

  • Name

    2,6-Dimethyl-7-octen-2-ol

  • EINECS 242-362-4
  • CAS No. 18479-58-8
  • Article Data16
  • CAS DataBase
  • Density 0.837 g/cm3
  • Solubility 939mg/L at 20℃
  • Melting Point
  • Formula C10H20O
  • Boiling Point 188.4 °C at 760 mmHg
  • Molecular Weight 156.268
  • Flash Point 76.7 °C
  • Transport Information
  • Appearance
  • Safety 26-36/37
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 18479-58-8 (2,6-Dimethyl-7-octen-2-ol)
  • Hazard Symbols IrritantXi
  • Synonyms 1,1,5-Trimethyl-6-heptenol;3,7-Dimethyl-1-octen-7-ol;Dihydromyrcenol;
  • PSA 20.23000
  • LogP 2.74970

2,6-Dimethyl-7-octen-2-ol Chemical Properties

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: C10H20
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

2,6-Dimethyl-7-octen-2-ol Toxicity Data With Reference

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.

2,6-Dimethyl-7-octen-2-ol Consensus Reports

Reported in EPA TSCA Inventory.

2,6-Dimethyl-7-octen-2-ol Safety Profile

Hazard Codes: IrritantXi
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 Specification

 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 .

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