1,1-Dimethoxy-3,7-dimethylocta-2,6-diene Chemical Properties

Boiling point:

105-106 °C10 mm Hg(lit.)

Density 

0.89 g/mL at 25 °C(lit.)

vapor density 

6.8 (vs air)

vapor pressure 

9 mm Hg ( 102.7 °C)

refractive index 

n20/D 1.454(lit.)

FEMA 

2305 | CITRAL DIMETHYL ACETAL

Flash point:

180 °F

form 

clear liquid

color 

Colorless to Almost colorless

Odor

at 100.00 %. green floral citric lemon lime natural

Odor Type

citrus

biological source

synthetic

Water Solubility 

Almost insoluble in water

JECFA Number

944

Major Application

flavors and fragrances

Cosmetics Ingredients Functions

PERFUMING

InChI

1S/C12H22O2/c1-10(2)7-6-8-11(3)9-12(13-4)14-5/h7,9,12H,6,8H2,1-5H3/b11-9+

InChIKey

ZSKAJFSSXURRGL-PKNBQFBNSA-N

SMILES

COC(OC)\C=C(/C)CC\C=C(\C)C

LogP

3.76

CAS DataBase Reference

7549-37-3(CAS DataBase Reference)

NIST Chemistry Reference

3,7-Dimethyl-2,6-octadienal, dimethyl acetal(7549-37-3)

EPA Substance Registry System

2,6-Octadiene, 1,1-dimethoxy-3,7-dimethyl- (7549-37-3)

Safety Information

Hazard Codes 

Xi

Risk Statements 

43

Safety Statements 

36/37

WGK Germany 

2

RTECS 

RG5330000

Hazard Note 

Irritant

TSCA 

TSCA listed

HS Code 

2911.00.5000

Storage Class

10 - Combustible liquids

Toxicity

Both the oral LD₅₀ value in rats and the dermal LD₅₀ value in rabbits exceeded 5 g/kg (Hart, 1971).

MSDS

• Language:English Provider:SigmaAldrich

1,1-Dimethoxy-3,7-dimethylocta-2,6-diene Usage And Synthesis

Description

Citral dimethyl acetal is a colorless liquid. Sp.Gr. 0.89. B.P. slightly lower than that of Citral. Almost insoluble in water, soluble in alcohol and oils.

Chemical Properties

Citral dimethyl acetal has a fresh, lemon-like odor. The commercial product consists of a mixture of cis- and trans-isomers.

Occurrence

Apparently has not been reported to occur in nature.

Uses

Citral dimethyl acetal is used in perfume compositions partly as a mild-green topnote in soap fragrances, and also as a topnote modifier in delicate floral fragrances, green-citrusy types, fresh notes, etc. Used in flavor compositions mainly in Citrus types and generally in fruit flavors to introduce a natural freshness similar to that of unripe fruit or green Lemon peel, Apple peel, etc.

Definition

ChEBI: A monoterpenoid that is the acetal obtained by formal condensation of citral with methanol.

Preparation

From citral and methyl alcohol in the presence of a catalyst, or by reacting citral with trimethyl orthoformate.

Taste threshold values

Taste characteristics at 10 ppm: green, citrus, lemon, grapefruit, lime with woody and terpy nuance.

1,1-Dimethoxy-3,7-dimethylocta-2,6-diene(7549-37-3)Related Product Information

• N,N-Dimethylformamide
• 2,6-Dimethoxybenzaldehyde
• Dimethyl fumarate
• Methylglyoxal 1,1-dimethyl acetal
• 1,3-CYCLOOCTADIENE
• ETHANE
• Benzhydrol
• 1,4-Benzenedimethanol
• Diethoxydimethylsilane
• Dimethyl ether
• 1,1-Dimethoxyethane
• Dimethyldimethoxysilane
• Diphenyldimethoxysilane
• Citral
• Dimethyl sulfoxide
• Dimethoxymethane
• Acetal
• 1,2-Benzenedimethanol