(3Z)-3,7-Dimethyl-1,3,6-octatriene

Basic Information

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CAS Number

13877-91-3

Molecular Formula

C10H16

Molecular Weight

136.24 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Melting Point

-27.17°C (estimate)

Boiling Point

65-66 °C/13 mmHg

Solubility

Insuluble (2.7E-3 g/L) (25 ºC),

Refractive Index

n20/D 1.485

SMILES

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CC(=CCC=C(C)C=C)C

InChI

InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7-8H,1,6H2,2-4H3/b10-8-

InChIKey

IHPKGUQCSIINRJ-NTMALXAHSA-N

LogP

3.4750000000000023

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

155

Safety Information

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GHS Hazard Pictograms

H226

Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

Synonyms & References

English

3,7-Dimethyl-(E)-1,3,6-Octatriene
AKOS015903787
(E)-3,7-Dimethyloctatriene
trans-3,7-Dimethyl-1,3,6-Octatriene
.beta.-Ocimene, (E)-
3,7-DIMETHYL-1,3,6-OCTATRIENE
.beta.-(E)-Ocimene
J-007176
bmse000964
AS-80273
OCIMENE TRANS-.BETA.-FORM
A-Ocimene
Ocimene(mixture of isomers)
trans-beta-Ocimene
t-.beta.-Ocimene
13877-91-3
ocimene (e-beta-)
beta-Ocimene
DTXSID8040567
beta-Ocimene 100 microg/mL in Methanol
.beta.-trans-Ocimene
OCIMENE
3,7-DIMETHYLOCTA-1,3,6-TRIENE, (E)-
UNII-38BQ4UYY06
3,7-DIMETHYLOCTA-1,3,6-TRIENE, (3E)-
3,7-dimethyl-1,3E,6-octatriene
(E)-Ocimene
OCIMENE TRANS-.BETA.-FORM [MI]
C09873
1,3,6-Octatriene, 3,7-dimethyl-, (E)-

MDL Number

MFCD00026437

Customs Code

2901299090

FAQ

What is (3Z)-3,7-Dimethyl-1,3,6-octatriene (CAS: 13877-91-3)?

(3Z)-3,7-Dimethyl-1,3,6-octatriene is a cyclic unsaturated hydrocarbon with a molecular formula of C9H14. It is characterized by its stable structure and characteristic aliphatic odor. This compound is used in various applications due to its chemical properties.

What are the main uses of (3Z)-3,7-Dimethyl-1,3,6-octatriene (CAS: 13877-91-3)?

(3Z)-3,7-Dimethyl-1,3,6-octatriene is primarily used as a fragrance and flavoring agent. It is also used in the production of synthetic rubbers and in research for its unique chemical properties.

Is (3Z)-3,7-Dimethyl-1,3,6-octatriene (CAS: 13877-91-3) safe?

(3Z)-3,7-Dimethyl-1,3,6-octatriene is considered safe for use in food and cosmetics under regulatory standards. However, it is important to handle it with care to avoid skin irritation and inhalation. Proper protective equipment, such as gloves and masks, should be worn during handling.

How should (3Z)-3,7-Dimethyl-1,3,6-octatriene (CAS: 13877-91-3) be stored?

(3Z)-3,7-Dimethyl-1,3,6-octatriene should be stored in a cool, dry place away from direct sunlight. It should be kept in a tightly sealed container to prevent moisture and air exposure. The storage temperature should be below 25°C to ensure stability and safety. Avoid contact with incompatible materials such as oxidizing agents and acids.