Citronellyl acetate
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Citronellyl acetate
structure -
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CAS No:
150-84-5
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Formula:
C12H22O2
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Chemical Name:
Citronellyl acetate
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Synonyms:
6-Octen-1-ol,3,7-dimethyl-,1-acetate;Citronellol acetate;6-Octen-1-ol,3,7-dimethyl-,acetate;Citronellyl acetate;1-Acetoxy-3,7-dimethyloct-6-ene;β-Citronellyl acetate;8-Acetoxy-2,6-dimethyl-2-octene;dl-Citronellol acetate;(±)-Citronellyl acetate;NSC 4893;3,7-Dimethyl-6-octen-1-yl acetate;β-Citronellol acetate;Cephrol acetate;O-Acetyl-β-citronellol;3,7-Dimethyloct-6-enyl acetate;67650-82-2
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CAS No:
Description
Citronellyl acetate is a monoterpene product of the secondary metabolism of plants, with antinociceptive activity. Citronellyl acetate exhibits pro-apoptotic activity in human hepatoma cells. Citronellyl acetate shows fungicidal, larvicidal, bactericidal and repelling/insecticidal effects[1].
Liquid|colourless liquid/fruity odour
Citronellol acetate is a monoterpenoid that is the acetate ester of citronellol. It has been isolated from Citrus hystrix. It has a role as a plant metabolite. It is an acetate ester and a monoterpenoid. It derives from a citronellol.
Characteristics
26.30000
4.28
Liquid
0.8518 g/cm3 @ Temp: 20 °C
241 °C @ Press: 783 Torr
218 °F
1.442
Practically insoluble in water
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
0.0137mmHg at 25°C
Oral-rat LD50:6800mg/kg
Flammable; decomposes by heating to release irritating smoke
Safety Information
NONH for all modes of transport
2
36/37/38
24/25-37-26
RH3422500
Warehouse ventilated, low temperature and dry
Stable under normal temperatures and pressures.
P264, P273, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362, P391, P501
H315
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P273, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362, P391, and P501|Aggregated GHS information provided by 1977 companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Citronellyl acetate Use and Manufacturing
It is obtained from citronella oil or geraniol oil by vacuum fractionation. It is derived from the direct acetylation of citronellol and acetic anhydride.
Commonly used in various artificial flower essential oils to increase sweetness. Other flavors such as roses, carnations, and lavender are also used. The quality is quite stable and will not change color.
Fragrance Ingredients
Air care products
100,000 - 500,000 lb
All other chemical product and preparation manufacturing|6-Octen-1-ol, 3,7-dimethyl-, 1-acetate: ACTIVE
EPA Safer Chemical Functional Use Classes -> Fragrances|Safer Chemical Classes -> Yellow triangle - The chemical has met Safer Choice Criteria for its functional ingredient-class, but has some hazard profile issues|Food additives -> Flavoring Agents|Flavouring Agent -> FLAVOURING_AGENT; -> JECFA Functional Classes|Flavoring Agents -> JECFA Flavorings Index|Lipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C10 isoprenoids (monoterpenes) [PR0102]|Cosmetics -> Masking
Flavoring Agents|Flavouring Agent -> FLAVOURING_AGENT;
Computed Properties
Molecular Weight:198.30
XLogP3:3.8
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:7
Exact Mass:198.161979940
Monoisotopic Mass:198.161979940
Topological Polar Surface Area:26.3
Heavy Atom Count:14
Complexity:191
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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