13877-91-3

Name OCIMENE
CAS 13877-91-3
EINECS(EC#) 237-641-2
Molecular Formula C10H16
MDL Number MFCD00026437
Molecular Weight 136.23
MOL File 13877-91-3.mol

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℃
FEMA  3539 | 3,7-DIMETHYL-1,3,6-OCTATRIENE
refractive index  n20/D 1.485
Fp  38 °C
storage temp.  2-8°C
solubility  Chloroform: Slightly Soluble; Methanol: Slightly Soluble
form  An oil
color  Colorless to light yellow
Specific Gravity 0.80
Odor at 100.00 %. citrus tropical green terpene woody green
biological source synthetic
Odor Type floral
Water Solubility  14.5mg/L at 24℃
JECFA Number 1338
BRN  1736172
Henry's Law Constant 4.0×10-4 mol/(m3Pa) at 25℃, Copolovici and Niinemets (2005)
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 Data

Symbol(GHS)  Flame (GHS02)Exclamation Mark (GHS07)Health Hazard (GHS08)Environment (GHS09)
GHS02,GHS07,GHS08,GHS09
Signal word  Danger
Hazard statements  H226-H252-H304-H315-H410
Precautionary statements  P210-P235-P273-P301+P310-P303+P361+P353-P331
Risk Statements 
Safety Statements 
RIDADR  UN2319 3/PG 3
WGK Germany  3
TSCA  TSCA listed
REACH Registrations Active
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

Raw materials And Preparation Products

Hazard Information

Spectrum Detail

Supplier

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