ChemicalBook--->CAS DataBase List--->106-29-6

106-29-6

106-29-6 Structure

106-29-6 Structure
IdentificationMore
[Name]

GERANYL BUTYRATE
[CAS]

106-29-6
[Synonyms]

3,7-DIMETHYL-2,6-OCTADIEN-1-YL N-BUTYRATE
3,7-DIMETHYLOCTA-2(TRANS), 6-DIENYL BUTANOATE
FEMA 2512
GERANYL BUTYRATE
GERANYL N-BUTYRATE
TRANS-3,7-DIMETHYL-2,6-OCTADIEN-1-YL BUTANOATE
TRANS-3,7-DIMETHYL-2,6-OCTADIEN-1-YL BUTYRATE
(2E)-3,7-Dimethyl-2,6-octadienyl butyrate
3,7-dimethyl-2,6-octadienylester,(E)-
3,7-dimethyl-2,6-octadienylester,(e)-butanoicaci
3,7-dimethyl-2,6-octadienylester,(E)-Butanoicacid
3,7-dimethyl-2,6-octadienylester,(e)-butyricaci
ag76
Butanoic acid, 3,7-dimethyl-2,6-octadienyl ester, (E)-
Butyric acid, 3,7-dimethyl-2,6-octadienyl ester, (E)-
butyricacidgeranylester
Geraniol butyrate
geraniolbutyrate
Geranyl butanoate
geranylbutanoate
[EINECS(EC#)]

203-381-3
[Molecular Formula]

C14H24O2
[MDL Number]

MFCD00036538
[Molecular Weight]

224.34
[MOL File]

106-29-6.mol
Chemical PropertiesBack Directory
[Appearance]

Colorless liquid; rose-like odor. Insoluble in water and glycerol; soluble in alcohol, ether. Occurs in several essential oils. Combustible.
[Boiling point ]

151-153 °C18 mm Hg(lit.)
[density ]

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

0.664Pa at 25℃
[FEMA ]

2512
[refractive index ]

n20/D 1.461(lit.)
[Fp ]

>230 °F
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

Insoluble in water, Glycerin and Propylene glycol. Soluble in alcohol, perfume and flavor oils and in mineral oil.
[Odor]

at 100.00 %. sweet fruity rose waxy raspberry tropical
[Odor Type]

fruity
[Water Solubility ]

712.7μg/L at 25℃
[JECFA Number]

66
[Major Application]

flavors and fragrances
[Cosmetics Ingredients Functions]

PERFUMING
[InChI]

InChI=1S/C14H24O2/c1-5-7-14(15)16-11-10-13(4)9-6-8-12(2)3/h8,10H,5-7,9,11H2,1-4H3/b13-10+
[InChIKey]

ZSBOMYJPSRFZAL-JLHYYAGUSA-N
[SMILES]

C(OC/C=C(\C)/CC/C=C(/C)\C)(=O)CCC
[LogP]

5.46
[Uses]

Perfumes and soaps, flavoring, synthetic attar of rose.
[CAS DataBase Reference]

106-29-6(CAS DataBase Reference)
[EPA Substance Registry System]

Butanoic acid, (2E)-3,7-dimethyl-2,6-octadienyl ester (106-29-6)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

2
[RTECS ]

ES9990000
[TSCA ]

TSCA listed
[REACH Registrations]

Active
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

STOT SE 3
[Toxicity]

The acute oral LD50 in rats was reported as 10.6 g/kg (Jenner, Hagan, Taylor, Cook & Fitzhugh, 1964). The acute dermal LD50 in rabbits was reported as 5 g/kg (Shelanski, 1973).
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sulphur-->Butyryl chloride-->Geraniol-->Butyric anhydride-->Geranium oil-->(1R)-(-)-10-Camphorsulfonic acid-->FEMA 2774-->Ethyl butyrate-->Crotonaldehyde (trans predominantly)-->Butyraldehyde-->Butyric Acid-->NEROL
[Preparation Products]

Butyl butyrate
Hazard InformationBack Directory
[Description]

Geranyl butyrate has a characteristic fresh, fruity, rose-like odor and sweet apricot-like taste. Geranyl butyrate is synthesized by heating geraniol and butyryl chloride in the presence of pyridine, or from geraniol and butyric anhydride in the presence of camphor sulfonic acid.
[Chemical Properties]

Colorless liquid; rose-like odor. Insoluble in water and glycerol; soluble in alcohol, ether. Occurs in several essential oils. Combustible.
[Chemical Properties]

Geranyl butyrate has a characteristic fresh, fruity, rose-like odor and sweet apricot-like taste.
[Occurrence]

Reported found in the essential oil of Darwinia grandifora; it has been identifed in lavender oil and in other essential oils Also reported found in citrus peel oils, celery leaves and stalks, tomato, thymus, passion fruit, mango, Calfornia pepper and babaco fruit (Carica pentagona Heilborn)
[Preparation]

By heating geraniol and butyryl chloride in the presence of pyridine, or from geraniol and butyric anhydride in the pres- ence of camphor sulfonic acid.
[Taste threshold values]

Taste characteristics at 5 ppm: sweet, fruity, green, slightly foral with a lingering tropical fruity aftertaste.
[General Description]

Geranyl butyrate is one of the key esters that may be contributing to the characteristic flavor of jamun fruit. It also occurs in tomato juice and tomato-based dried products.
[Flammability and Explosibility]

Notclassified
Spectrum DetailBack Directory
[Spectrum Detail]

GERANYL BUTYRATE(106-29-6)1HNMR
GERANYL BUTYRATE(106-29-6)13CNMR
GERANYL BUTYRATE(106-29-6)IR1
GERANYL BUTYRATE(106-29-6)IR2
GERANYL BUTYRATE(106-29-6)Raman
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

106-29-6(sigmaaldrich)
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