13877-91-3
Product Name:
OCIMENE
Formula:
C10H16
Synonyms:
3,7-Dimethyl-1,3,6-octatrien;3,7-Dimethyl-1,3,6-octatriene
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Liquid |
|---|---|
| Boiling Point | 174.00 to 175.00 °C. @ 760.00 mm Hg |
| Kovats Retention Index | 1041 1032 1024 1029 1031 1037 1043 1038 1032 1032 1038 1040 1035 1038.4 1039 |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02  Exclamation Mark Irritant GHS07  Health Hazard GHS08  Environment GHS09 |
| GHS Hazard Statements |
H226:Flammable liquids H252:Self-heating substances and mixtures H304:Aspiration hazard H315:Skin corrosion/irritation H410:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P235:Keep cool. P273:Avoid release to the environment. P331:Do NOT induce vomiting. P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. |
COMPUTED DESCRIPTORS
| Molecular Weight | 136.23 g/mol |
|---|---|
| XLogP3 | 4.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 3 |
| Exact Mass | 136.125200510 g/mol |
| Monoisotopic Mass | 136.125200510 g/mol |
| Topological Polar Surface Area | 0 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 155 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
(E)-beta-ocimene is a beta-ocimene that consists of octa-1,3,6-triene bearing two methyl substituents at positions 3 and 7 (the 3E-isomer). It has a role as a plant metabolite.