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OCIMENE Structure

OCIMENE

Chemical Properties

Melting point -27.17°C (estimate)
Boiling point 65-66 °C/13 mmHg
Density  0.818 g/mL at 20 °C(lit.)
vapor pressure  2.207hPa at 24℃
refractive index  n20/D 1.485
FEMA  3539 | 3,7-DIMETHYL-1,3,6-OCTATRIENE
Flash point 38 °C
storage temp.  2-8°C
solubility  Chloroform: Slightly Soluble; Methanol: Slightly Soluble
form  An oil
Specific Gravity 0.80
color  Colorless to light yellow
Odor at 100.00 %. citrus tropical green terpene woody green
Odor Type floral
biological source synthetic
Water Solubility  14.5mg/L at 24℃
JECFA Number 1338
BRN  1736172
Major Application flavors and fragrances
Cosmetics Ingredients Functions PERFUMING
InChI 1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7-8H,1,6H2,2-4H3
InChIKey IHPKGUQCSIINRJ-UHFFFAOYSA-N
SMILES [H]C(CC([H])=C(C)C=C)=C(C)C
LogP 5.4 at 25℃
EPA Substance Registry System 1,3,6-Octatriene, 3,7-dimethyl- (13877-91-3)

Safety Information

Risk Statements  10
Safety Statements  16
RIDADR  UN2319 3/PG 3
WGK Germany  3
TSCA  TSCA listed
Storage Class 4.2 - Pyrophoric and self-heating hazardous materials
Hazard Classifications Aquatic Acute 1
Aquatic Chronic 2
Asp. Tox. 1
Flam. Liq. 3
Self-heat. 2
Skin Irrit. 2

Usage And Synthesis

Preparation Products And Raw materials

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