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41890-92-0

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Basic Information
CAS No.: 41890-92-0
Name: 7-methoxy-3,7-dimethyloctan-2-ol
Article Data: 6
Molecular Structure:
Molecular Structure of 41890-92-0 (7-methoxy-3,7-dimethyloctan-2-ol)
Formula: C11H24 O2
Molecular Weight: 188.31
Synonyms: 3,7-Dimethyl-7-methoxy-2-octanol;Dihydromethoxyelgenol; Elesant; Osyrol
Density: 0.876g/cm3
Boiling Point: 230.5°Cat760mmHg
Flash Point: 65.1°C
Safety: Low toxicity by ingestion. A skin irritant. When heated to decomposition it emits acrid smoke and irritating vapors.
PSA: 29.46000
LogP: 2.59860
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Chemistry

Molecule structure of Dihydromethoxyelgenol (CAS NO.41890-92-0):

IUPAC Name: 7-Methoxy-3,7-dimethyloctan-2-ol 
Molecular Weight: 188.30706 g/mol
Molecular Formula: C11H24O2 
Density: 0.876 g/cm3 
Boiling Point: 230.5 °C at 760 mmHg 
Flash Point: 65.1 °C
Index of Refraction: 1.436
Molar Refractivity: 56.17 cm3
Molar Volume: 214.7 cm3
Polarizability: 22.26×10-24 cm3
Surface Tension: 28.4 dyne/cm 
Enthalpy of Vaporization: 54.3 kJ/mol
Vapour Pressure: 0.0125 mmHg at 25 °C
XLogP3-AA: 2.3
H-Bond Donor: 1
H-Bond Acceptor: 2
Rotatable Bond Count: 6
Exact Mass: 188.17763
MonoIsotopic Mass: 188.17763
Topological Polar Surface Area: 29.5
Heavy Atom Count: 13 
Complexity: 132
Canonical SMILES: CC(CCCC(C)(C)OC)C(C)O
InChI: InChI=1S/C11H24O2/c1-9(10(2)12)7-6-8-11(3,4)13-5/h9-10,12H,6-8H2,1-5H3
InChIKey: ZJVRYPHKSDHLTC-UHFFFAOYSA-N
EINECS of Dihydromethoxyelgenol (CAS NO.41890-92-0): 255-574-7

Toxicity Data With Reference

1.    

skn-rbt 1% MLD

     FCTOD7    Food and Chemical Toxicology. 30 (1992),25S.
2.    

orl-rat LD50:4490 mg/kg

     FCTOD7    Food and Chemical Toxicology. 30 (1992),25S.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Low toxicity by ingestion. A skin irritant. When heated to decomposition it emits acrid smoke and irritating vapors.

Specification

 Dihydromethoxyelgenol (CAS NO.41890-92-0) is also named as 2-Octanol, 7-methoxy-3,7-dimethyl- ; 3,7-Dimethyl-7-methoxy-2-octanol ; BRN 1921024 ; Elesant ; Methoxyelgenol ; Osirol ; 2-Octanol, 3,7-dimethyl-7-methoxy- ; 7-Methoxy-3,7-dimethyloctan-2-ol .