Geranyl butyrate
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Geranyl butyrate
structure -
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CAS No:
106-29-6
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Formula:
C14H24O2
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Chemical Name:
Geranyl butyrate
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Synonyms:
Butanoic acid,(2E)-3,7-dimethyl-2,6-octadien-1-yl ester;Butyric acid,3,7-dimethyl-2,6-octadienyl ester,(E)-;Butanoic acid,3,7-dimethyl-2,6-octadienyl ester,(E)-;Butyric acid,geranyl ester;Butanoic acid,(2E)-3,7-dimethyl-2,6-octadienyl ester;2,6-Octadien-1-ol,3,7-dimethyl-,butyrate,(E)-;trans-3,7-Dimethyl-2,6-octadien-1-yl butyrate;Geraniol butyrate;Geranyl butyrate;Geranyl n-butyrate;Geranyl butanoate;AG 76;NSC 46146;NSC 70177
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CAS No:
Characteristics
26.30000
5.17
colourless to pale yellow liquid/fruity, rose-like odour
0.891-0.895 g/cm3 @ Temp: 25 °C
126-128 °C @ Press: 9 Torr
>230 °F
1.460
soluble in alcohol, most fixed oils; insoluble in glycerol, propylene glycol, water
0.00116mmHg at 25°C
Safety Information
NONH for all modes of transport
2
36/37/38
26-36
ES9990000
Xi
P261-P305 + P351 + P338
H315-H319-H335
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Geranyl butyrate Use and Manufacturing
It is formed by esterification of geraniol and butyric anhydride in the presence of camphor and sulfur.
This product has the aroma of rose, but also the aroma of fruit, banana and grape. The fragrance is better than geranyl acetate (geranyl isobutyrate is more elegant and stable than geranyl butyrate). It is widely used in the preparation of food spices, lipstick cosmetics, especially for the preparation of bergamot, lavender, rose, ylang ylang, orange blossom and other spices. In the preparation of food spices, it is often used to prepare apricots, bananas, grapes, lemons, peach lime, wine, etc.
Butanoic acid, (2E)-3,7-dimethyl-2,6-octadien-1-yl ester: ACTIVE
Computed Properties
Molecular Weight:224.34
XLogP3:4.3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:8
Exact Mass:224.177630004
Monoisotopic Mass:224.177630004
Topological Polar Surface Area:26.3
Heavy Atom Count:16
Complexity:258
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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