(6E)-3,7,11-Trimethyl-1,6,10-dodecatrien-3-ol

Basic Information

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CAS Number

40716-66-3

Molecular Formula

C15H26O

Molecular Weight

222.37 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Physical State

Oil

Boiling Point

145-146 °C/12 mmHg

Refractive Index

n20/D 1.479(lit.)

Vapor Pressure

0.0±1.2 mmHg at 25°C

Specific Rotation

+13.0° - +17.0° (c=1, MeOH)

SMILES

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CC(=CCC/C(=C/CCC(C)(C=C)O)/C)C

InChI

InChI=1S/C15H26O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,9,11,16H,1,7-8,10,12H2,2-5H3/b14-11+

InChIKey

FQTLCLSUCSAZDY-SDNWHVSQSA-N

LogP

4.396300000000004

Topological Polar Surface Area

20.23 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

269

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

trans-nerolidol
Nerolidol
NEROLIDOL, trans-(AS)
(E)-3,7,11-Trimethyl-1,6,10-dodecatrien-3-ol,trans-3,7,11-Trimethyl-1,6,10-dodecatrien-3-ol
3,7,11-trimethyldodeca-1,6,10-trien-3-ol
trans-1-Cyclohexyl-2,3-dibenzoyl-aziridin
trans-N-Cyclohexyl-2,3-dibenzoyl-aziridin
(6E)-3,7,11-Trimethyldodeca-1,6,10-trien-3-ol
3-Hydroxy-3,7,11-trimethyl-1,6,10-dodecatriene
[ "trans-Nerolidol", " (E)-Nerolidol" ]
trans-Nerolidol

MDL Number

MFCD00008911

Customs Code

2905290000

FAQ

What are the physical and chemical properties of (6E)-3,7,11-Trimethyl-1,6,10-dodecatrien-3-ol (CAS: 40716-66-3)?

(6E)-3,7,11-Trimethyl-1,6,10-dodecatrien-3-ol is a colorless liquid with a molecular weight of approximately 216.36 g/mol. It has a low solubility in water but is miscible with common organic solvents. Chemically, it is relatively stable but can react with strong oxidizing agents. It is used in the synthesis of fragrances and flavorings.

How is (6E)-3,7,11-Trimethyl-1,6,10-dodecatrien-3-ol (CAS: 40716-66-3) typically synthesized?

(6E)-3,7,11-Trimethyl-1,6,10-dodecatrien-3-ol is often synthesized via the reaction of 3,7,11-trimethyl-1-dodecenyne with methyl lithium. This method provides high selectivity and good yield. The process typically requires the use of a dry solvent and a mild reducing agent.

What industries use (6E)-3,7,11-Trimethyl-1,6,10-dodecatrien-3-ol (CAS: 40716-66-3)?

(6E)-3,7,11-Trimethyl-1,6,10-dodecatrien-3-ol is primarily used in the perfume and flavor industries. It is also explored for its potential applications in the production of certain polymer additives and as a sensor for detecting specific chemical compounds.

What precautions should be taken when handling (6E)-3,7,11-Trimethyl-1,6,10-dodecatrien-3-ol (CAS: 40716-66-3)?

When handling (6E)-3,7,11-Trimethyl-1,6,10-dodecatrien-3-ol, it is important to use appropriate personal protective equipment (PPE) such as gloves, lab coat, and safety goggles. Work should be conducted in a well-ventilated area or fume hood. Spills should be cleaned up using appropriate absorbent materials and disposed of according to local regulations. Always refer to the Material Safety Data Sheet (MSDS/SDS) for detailed safety information.