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3,7-DIMETHYL-1-OCTANOL Structure

3,7-DIMETHYL-1-OCTANOL

Chemical Properties

Melting point -1.53°C (estimate)
Boiling point 98-99 °C/9 mmHg (lit.)
Density  0.828 g/mL at 20 °C (lit.)
vapor density  5.4 (vs air)
vapor pressure  <0.01 mm Hg ( 20 °C)
refractive index  n20/D 1.436(lit.)
FEMA  2391 | 3,7-DIMETHYL-1-OCTANOL
Flash point 203 °F
storage temp.  Sealed in dry,Room Temperature
solubility  Insoluble in water, soluble in alcohol and oils.
form  Liquid
pka 15.13±0.10(Predicted)
color  Clear colorless
Odor at 100.00 %. waxy soapy aldehydic leathery musty citrus green
Odor Type floral
biological source synthetic
Water Solubility  64mg/L at 20℃
JECFA Number 272
BRN  1719638
Cosmetics Ingredients Functions FRAGRANCE
PERFUMING
InChI 1S/C10H22O/c1-9(2)5-4-6-10(3)7-8-11/h9-11H,4-8H2,1-3H3
InChIKey PRNCMAKCNVRZFX-UHFFFAOYSA-N
SMILES CC(C)CCCC(C)CCO
LogP 3.9 at 35℃
CAS DataBase Reference 106-21-8(CAS DataBase Reference)
EPA Substance Registry System 1-Octanol, 3,7-dimethyl- (106-21-8)

Safety Information

Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  23-26-36
RIDADR  UN 3082 9 / PGIII
WGK Germany  1
RTECS  RH0900000
TSCA  TSCA listed
HS Code  29051990
Storage Class 10 - Combustible liquids
Hazard Classifications Aquatic Chronic 2
Eye Irrit. 2
Skin Irrit. 2

MSDS

Usage And Synthesis

Preparation Products And Raw materials

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