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56172-46-4

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56172-46-4 Structure

56172-46-4 Structure
IdentificationBack Directory
[Name]

GERANYL CROTONATE
[CAS]

56172-46-4
[Synonyms]

GERANYL CROTONATE
geraniolcrotonate
geranyl-2-butenoate
trans-Geraniol crotonate
crotonicacid,geraniolester
3,7-dimethyl-2-trans,6-octadienylcrotonate
(,E)-3,7-Dimethyl-2,6-octadienyl-2-butenoat
(,E)-3,7-dimethyl-2,6-octadienyl 2-butenoate
3,7-dimethyl-,2-butenoate,(e)-6-octadien-1-ol
2-butenoicacid,3,7-dimethyl-2,6-octadienylester
trans-3,7-dimethyl-2,6-octadien-1-ol,2-butenoate
Crotonic acid (E)-3,7-dimethyl-2,6-octadienyl ester
(E)-(E)-3,7-diMethylocta-2,6-dien-1-yl but-2-enoate
3,7-dimethyl-2,6-octadienylester,(?,e)-2-butenoicaci
Crotonic acid (7-methyl-3-methylene-6-octenyl) ester
2-Butenoicacid,(2E)-3,7-dimethyl-2,6-octadienylester
Crotonic acid [(E)-3,7-dimethyl-2,7-octadienyl] ester
2-Butenoic acid (E)-3,7-dimethyl-2,6-octadienyl ester
2-Butenoic acid, (2E)-3,7-dimethyl-2,6-octadien-1-yl ester
(E)-2-Butenoic acid (7-methyl-3-methylene-6-octenyl) ester
(E)-2-Butenoic acid [(E)-3,7-dimethyl-2,7-octadienyl] ester
[EINECS(EC#)]

260-027-0
[Molecular Formula]

C14H22O2
[MDL Number]

MFCD00048598
[MOL File]

56172-46-4.mol
[Molecular Weight]

222.32
Chemical PropertiesBack Directory
[Boiling point ]

303.51°C (rough estimate)
[density ]

1.0200 (rough estimate)
[refractive index ]

1.4576 (estimate)
[solubility ]

Insoluble in water, soluble in alcohol and oils.
[color ]

A colourless liquid with a warm-herbaceous, sweet odour
[Odor]

at 100.00 %. sweet caramel maple fruity almond acorns nutty
[Odor Type]

caramellic
[LogP]

4.471 (est)
[EPA Substance Registry System]

2-Butenoic acid, (2E)-3,7-dimethyl-2,6-octadienyl ester (56172-46-4)
Hazard InformationBack Directory
[Occurrence]

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

Although only rarely offered commercially, Geranyl crotonate should have good possibilities in artificial Geranium and, in general, in perfumes of herbaceous-floral, sweet character. Yet, the ester blends excellently with woody odours, Clary Sage and Lavender, etc. Furthermore, it is an excellent extender for Zdravetz oil in rare cases where this oil is used, and its notes should be modified.
[Preparation]

By esterification of geraniol with crotonyl chloride.
Safety DataBack Directory
[Toxicity]

Both the acute oral LD50 value in rats and the acute dermal LD50 value in rabbits exceeded 5 g/kg (Moreno, 1973).
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