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106-29-6

Basic Information
CAS No.: 106-29-6
Name: Butanoic acid,(2E)-3,7-dimethyl-2,6-octadien-1-yl ester
Article Data: 13
Molecular Structure:
Molecular Structure of 106-29-6 (Butanoic acid,(2E)-3,7-dimethyl-2,6-octadien-1-yl ester)
Formula: C14H24O2
Molecular Weight: 224.343
Synonyms: Butanoicacid, (2E)-3,7-dimethyl-2,6-octadienyl ester (9CI);Butanoic acid,3,7-dimethyl-2,6-octadienyl ester, (E)-;Butyric acid,3,7-dimethyl-2,6-octadienyl ester, (E)- (8CI);Butyric acid, geranyl ester(6CI);2,6-Octadien-1-ol, 3,7-dimethyl-, butyrate, (E)- (8CI);AG 76;Geraniolbutyrate;Geranyl butanoate;Geranyl n-butyrate;NSC 46146;NSC 70177;trans-3,7-Dimethyl-2,6-octadien-1-yl butyrate;
EINECS: 203-381-3
Density: 0.898 g/cm3
Boiling Point: 299.906 °C at 760 mmHg
Flash Point: 99.404 °C
Solubility: 712.7μg/L at 25℃
Appearance: colourless to pale yellow liquid/fruity, rose-like odour
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
PSA: 26.30000
LogP: 4.02240
Synthetic route
106-24-1

Geraniol

107-92-6

butyric acid

106-29-6

Geranyl butyrate

Conditions
ConditionsYield
With Candida antarctica lipase B at 50℃; for 4h; Molecular sieve; Ionic liquid; Green chemistry; Enzymatic reaction;99.9%
With sodium hydroxide at 80℃; for 8h;66.94%
In hexane at 30℃; for 72h; Corynebacterium sp. S-401;23%
123-73-9

trans-Crotonaldehyde

106-24-1

Geraniol

106-29-6

Geranyl butyrate

Conditions
ConditionsYield
With 2-mesityl-2,5,6,7-tetrahydropyrrolo[2,1-c][1,2,4]triazol-4-ium; N-ethyl-N,N-diisopropylamine In tetrahydrofuran at 60℃; for 24h;63%
106-31-0

butanoic acid anhydride

106-24-1

Geraniol

106-29-6

Geranyl butyrate

Conditions
ConditionsYield
With camphor-10-sulfonic acid
123-72-8

butyraldehyde

106-29-6

Geranyl butyrate

Conditions
ConditionsYield
With aluminium compound of geraniol
106-24-1

Geraniol

141-75-3

butyryl chloride

106-29-6

Geranyl butyrate

Conditions
ConditionsYield
With pyridine
With pyridine at 20℃; Esterification;
106-31-0

butanoic acid anhydride

A

106-29-6

Geranyl butyrate

B

999-40-6

butyric acid β-neryl ester

Conditions
ConditionsYield
With lipase from hog pancreas In diethyl ether at 20℃; for 2h; Product distribution; Rate constant;
123-72-8

butyraldehyde

aluminium compound of geraniol

aluminium compound of geraniol

A

109-21-7

butyl butyrate

B

106-29-6

Geranyl butyrate

C

71-36-3

butan-1-ol

D

geranic acid butyl ester

geranic acid butyl ester

Conditions
ConditionsYield
Produkt5:Geraniumsaeuregeranylester;
64-17-5

ethanol

106-24-1

Geraniol

555-75-9

aluminum ethoxide

A

109-21-7

butyl butyrate

B

106-29-6

Geranyl butyrate

C

71-36-3

butan-1-ol

D

geranic acid butyl ester

geranic acid butyl ester

Conditions
ConditionsYield
destilliert den Alkohol im Vakuum ab und kocht mit Butyraldehyd; Produkt 5: Geraniumsaeuregeranylester;
106-24-1

Geraniol

105-54-4

butanoic acid ethyl ester

106-29-6

Geranyl butyrate

Conditions
ConditionsYield
With recombinant acyltransferase from Mycobacterium smegmatis In aq. phosphate buffer at 25℃; for 48h; pH=8; Green chemistry; Enzymatic reaction;
106-29-6

Geranyl butyrate

8-Hydroxy-2,6-dimethyl-2(E),6(E)-octadienal 8-butyrate

Conditions
ConditionsYield
With selenium(IV) oxide In 1,4-dioxane; water Oxidation;
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Chemistry

IUPAC Name: [(2E)-3,7-Dimethylocta-2,6-dienyl] butanoate
The MF of Geranyl butyrate (CAS NO.106-29-6) is C14H24O2.

                        
The MW of Geranyl butyrate (CAS NO.106-29-6) is 224.34.
Synonyms of Geranyl butyrate (CAS NO.106-29-6): 3,7-Dimethyl-2,6-octadienylester,(E)- ; 3,7-Dimethyl-2,6-octadienylester,(E)-butanoicacid ; Ag76 ; Butanoic acid, 3,7-dimethyl-2,6-octadienyl ester, (E)- ; Butyric acid, 3,7-dimethyl-2,6-octadienyl ester, (E)-
Product Categories: Certified Natural ProductsFlavors and Fragrances;G-H
Appearance: colourless to pale yellow liquid/sweet, leafy, floral odour\
Refraction Index: 1.4539-1.4650
EINECS: 203-381-3
Density: 0.897 g/ml 
Flash Point: 99.4 °C
Boiling Point: 299.9 °C
FEMA: 2512

Uses

  Geranyl butyrate (CAS NO.106-29-6) is food and cosmetics, fragrance, often used in red roses, peonies, acacia, lilac, lily of the valley, sweet Douhua, lavender flavor and preparation of Geranium Oil

Production

Raw materials: Sulphur-->Butyryl chloride-->Geraniol-->Butyric anhydride-->Geranium oil-->L(-)-Camphorsulfonic acid

Toxicity Data With Reference

1.    

orl-rat LD50:10,660 mg/kg

    FCTXAV    Food and Cosmetics Toxicology. 2 (1964),327.
2.    

skn-rbt LD50:5 g/kg

    FCTXAV    Food and Cosmetics Toxicology. 12 (1974),889.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Mildly toxic by ingestion and skin contact. When heated to decomposition it emits acrid smoke and irritating vapors.Safety information of Geranyl butyrate (CAS NO.106-29-6):
Hazard Codes  IrritantXi
Risk Statements 
36/37/38 Irritating to eyes, respiratory system and skin
Safety Statements 
26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36 Wear suitable protective clothing
WGK Germany  2
RTECS  ES9990000