ChemicalBook--->CAS DataBase List--->5146-66-7

5146-66-7

5146-66-7 Structure

5146-66-7 Structure
IdentificationMore
[Name]

3,7-Dimethyl-2,6-octadienenitrile
[CAS]

5146-66-7
[Synonyms]

2,6-DIMETHYL-1,5-HEPTADIENYL CYANIDE
3,7-DIMETHYL-2,6-OCTADIENE-1-NITRILE
3,7-DIMETHYL-2,6-OCTADIENENITRILE
3,7-DIMETHYL-OCTA-2,6-DIENENITRILE
CITRALVA
GERANONITRILE
GERANYL NITRILE
LRT8
2,6-Dimethyl-1,5-heptadiene-1-carbonitrile
2,6-Octadienenitrile,3,7-dimethyl-
3,7-dimethyl-2,6-octadienenitrile,mixtureofisomers
3,7-dimethyl-6-octadienenitrile
6-Octadienenitrile,3,7-dimethyl-2
1-cyano-2,6-dimethylhepta-1,5-diene
Geranyl nitrile (cis-and trans mixture)
3,7-DIMETHYL-2,6-OCTADIENENITRILE, 97%, MIXTURE OF ISOMERS
3 7-DIMETHYL-2 6-OCTADIENENITRILE 97+%&
GeranylNitrile,cis-/trans-mixture
GeranylNitrilecis-/trans-mixture
3,7-Dimethylocta-2,6-diennitril
[EINECS(EC#)]

225-918-0
[Molecular Formula]

C10H15N
[MDL Number]

MFCD00001926
[Molecular Weight]

149.23
[MOL File]

5146-66-7.mol
Chemical PropertiesBack Directory
[Appearance]

CLEAR YELLOW LIQUID
[Boiling point ]

110 °C1.3 mm Hg(lit.)
[density ]

0.853 g/mL at 25 °C(lit.)
[vapor pressure ]

3.7-4.82Pa at 20-25℃
[refractive index ]

n20/D 1.475(lit.)
[Fp ]

>230 °F
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

clear liquid
[color ]

A colourless or very pale yellow liquid.
[Specific Gravity]

0.866
[Odor]

at 10.00 % in dipropylene glycol. citrus lemon nitrile aldehydic metallic
[Odor Type]

citrus
[Water Solubility ]

SLIGHTLY SOLUBLE
[Henry's Law Constant]

2.9×10-2 mol/(m3Pa) at 25℃, Helburn et al. (2008)
[LogP]

2.7-3.47 at 35℃
[CAS DataBase Reference]

5146-66-7(CAS DataBase Reference)
[EPA Substance Registry System]

5146-66-7(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Skull and Crossbones (GHS06)Health Hazard (GHS08)Environment (GHS09)
GHS06,GHS08,GHS09
[Signal word ]

Danger
[Hazard statements ]

H330-H341-H411
[Precautionary statements ]

P260-P284-P310-P273-P281
[Hazard Codes ]

Xn,N
[Risk Statements ]

R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
R68:Possible risk of irreversible effects.
R20/21:Harmful by inhalation and in contact with skin .
[Safety Statements ]

S36/37:Wear suitable protective clothing and gloves .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
[RIDADR ]

UN 3082 9/PG 3
[WGK Germany ]

1
[RTECS ]

RG5370000
[TSCA ]

TSCA listed
[REACH Registrations]

Active
[HS Code ]

29269095
[Toxicity]

The acute oral LD50 value in rats was reported as 31 g/kg and the acute dermal LD50 value in rabbits as 4.3 g/kg (Wohl. 1974).
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Citral
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

3,7-Dimethyl-2,6-octadienenitrile(5146-66-7).msds
Hazard InformationBack Directory
[Chemical Properties]

CLEAR YELLOW LIQUID
[Occurrence]

Has apparently not been reported to occur in nature.
[Uses]

Geranyl Nitrite, is a substituted terpenoid odorant with a fruity odor quality. It is one of the most potent cyclase stimulators.
[Preparation]

From geranialoxime with acetic anhydride (Arctander. 1969).
[Production Methods]

3,7-Dimethyl-2,6-octadienenitrile can be produced from: 1) Geranialoxime with Acetic anhydride. 2) Geranyl chloride and Sodium cyanide.
[Flammability and Explosibility]

Nonflammable
[Metabolism]

The toxicity of organic cyanides appears to depend, in almost every case, on whether they can be metabolized in the body to the free cyanide ion, CN~, and on the rate and extent of this conversion and the rate of detoxication of cyanide to thiocyanate. Alkyl cyanides appear to be metabolized in the body chiefly by formation of hydrogen cyanide plus the acid with one less carbon atom (Williams, 1959).
Questions And AnswerBack Directory
[Aroma]

Penetrating and powerful, oily-green, lemony-fresh odor with some resemblance to that of Citral, but overall harsher, not as sweet and not as natural in its notes. Powerful lemony, but also somewhat "metallic" and not expressly sweet taste - in dilutions below 5 ppm. It should be noted that this material has a poorer effect in rncidified aqueous medium than the effect obtained with Citral under similar conditions.
Spectrum DetailBack Directory
[Spectrum Detail]

3,7-Dimethyl-2,6-octadienenitrile(5146-66-7)1HNMR
3,7-Dimethyl-2,6-octadienenitrile(5146-66-7)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3,7-Dimethyl-2,6-octadienenitrile, mixture of isomers, 97%(5146-66-7)
[Sigma Aldrich]

5146-66-7(sigmaaldrich)
[TCI AMERICA]

Geranyl Nitrile  (cis-and trans-mixture),>95.0%(GC)(5146-66-7)
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