ChemicalBook CAS DataBase List 105-87-3

105-87-3

Name	Geranyl acetate
CAS	105-87-3
EINECS(EC#)	203-341-5
Molecular Formula	C12H20O2
MDL Number	MFCD00015037
Molecular Weight	196.29
MOL File	105-87-3.mol

Synonyms

3,7-DIMETHYL-2,6-OCTADIEN-1-YL ACETATE 3,7-DIMETHYL-TRANS-2,6-OCTADIEN-1-YL-ACETATE ACETIC ACID GERANYL ESTER FEMA 2509 GERANIOL ACETATE GERANYL ACETATE GERANYL ACETATE 60 TRANS-3,7-DIMETHYL-2,6-OCTADIEN-1-YL ACETATE TRANS-3,7-DIMETHYL-2,6-OCTADIENYL ACETATE (2E)-3,7-Dimethyl-2,6-octadienyl acetate (E)-3,7-Dimethyl-2,6-octadien-1-yl acetate 2,6-dimethyl-2,6-octadiene-8-ylacetate 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, trans- 2,6-Octadien-1-ol,3,7-dimethyl-,acetate,(E)- 3,7-dimethyl-,acetate,(e)-6-octadien-1-ol 3,7-dimethyl-,acetate,trans-6-octadien-1-ol 3,7-Dimethyl-2-trans, 6-octadienyl acetate 3,7-dimethyl-2-trans,6-octadienylacetate 3,7-dimethyl-2-trans-6-octadienylacetate 3,7-dimethyl-trans-2,6-octadien-1-yl-acetate,mixtureofisomers

Chemical Properties

Appearance	Clear, colorless liquid; odor of lavender. Soluble in alcohol and ether; insoluble in water and glycerol. Combustible.
Melting point	25°C
Boiling point	236-242 °C(lit.)
density	0.916 g/mL at 25 °C
vapor density	6.8 (vs air)
vapor pressure	0.07 mm Hg ( 20 °C)
FEMA	2509
refractive index	n20/D 1.462
Fp	220 °F
storage temp.	2-8°C
solubility	Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
form	neat
color	Colourless
Specific Gravity	0.916
Odor	at 100.00 %. floral rose lavender green waxy
biological source	synthetic
Odor Type	floral
Water Solubility	<0.1 g/100 mL at 20 ºC
JECFA Number	58
Henry's Law Constant	4.1×10^-3 mol/(m³Pa) at 25℃, HSDB (2015)
Cosmetics Ingredients Functions	TONIC PERFUMING
InChI	1S/C12H20O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,8H,5,7,9H2,1-4H3/b11-8+
InChIKey	HIGQPQRQIQDZMP-DHZHZOJOSA-N
SMILES	CC(=O)OC\C=C(/C)CC\C=C(/C)C
LogP	4.04 at 20℃
Uses	Perfumery, flavoring less more
CAS DataBase Reference	105-87-3(CAS DataBase Reference)
NIST Chemistry Reference	2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (E)-(105-87-3)
EPA Substance Registry System	105-87-3(EPA Substance)

Safety Data

Symbol(GHS)	GHS07
Signal word	Warning
Hazard statements	H315-H317-H412
Precautionary statements	P261-P264-P272-P273-P280-P302+P352
Hazard Codes	Xi
Risk Statements	R36/37/38:Irritating to eyes, respiratory system and skin . less more
Safety Statements	S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . S36:Wear suitable protective clothing . S24/25:Avoid contact with skin and eyes . less more
RIDADR	UN1230 - class 3 - PG 2 - Methanol, solution
WGK Germany	3
RTECS	RG5920000
F	10-23
Hazard Note	Irritant
TSCA	Yes
REACH Registrations	Active
HS Code	29153900
Storage Class	10 - Combustible liquids
Hazard Classifications	Aquatic Chronic 3 Skin Irrit. 2 Skin Sens. 1
Safety Profile	Mildly toxic by ingestion. A human skin irritant. Mutation data reported. Combustible liquid. When heated to decomposition it emits acrid smoke and irritating fumes. See also ESTERS. less more
Hazardous Substances Data	105-87-3(Hazardous Substances Data)
Toxicity	The acute oral UD 50 value in rats was reported as 6.33 g/kg (Jenner, Hagan, Taylor, Cook & Fitzhugh, 1964). less more

Raw materials And Preparation Products

Hazard Information

General Description

Clear colorless liquid with an odor of lavender.

Reactivity Profile

GERANYL ACETATE(105-87-3) should be protected from light. This compound reacts with strong oxidizing agents.

Air & Water Reactions

Insoluble in water.

Fire Hazard

This chemical is probably combustible.

Chemical Properties

Clear, colorless liquid; odor of lavender. Soluble in alcohol and ether; insoluble in water and glycerol. Combustible.

Chemical Properties

Geranyl acetate has a pleasant, fowery odor reminiscent of rose lavender It has a burning taste, initially somewhat bitter and then sweet.

Chemical Properties

Geranyl Acetate occurs in varying amounts in many essential oils: up to 60% in oils from Callitris and Eucalyptus species and up to 14% in palmarosa oil. A smaller amount occurs in, for example, geranium, citronella, petitgrain, and lavender oils. Geranyl acetate is a liquid with a fruity rose note, reminiscent of pear and slightly of lavender. It is used frequently in perfumery not only to create floral, fruity nuances (e.g., rose) but also for citrus and lavender notes. A small amount is added to fruit aromas for shading.

Occurrence

Reported found in a large number of essential oils; Ceylon citronella, palmarose, lemongrass, petitgrain, neroi bigarade, geranium, coriander, lavender, carrot, sassafras, in various Callitris species (C verrucosa, C robusta, and others) and Eucalyptus species (E acervula, E urnigera, etc ) A 60% level has been reported in the essential oil of Eucalyptus macar- thuri and up to 50% in the essential oil of Orthodon citraliferum; also identifed in bitter orange essential oil and Cymbopogon citratus oil Also reported found in citrus peel oils and juices, black currants, pineapple, celery seed, cinnamon, ginger, pepper- mint oil, corn mint oil, nutmeg, mace, thymus, hop oil, beer, rum, grape wines, coffee, tea, passion fruit, tomato, almond, muscal grape, cardamom, coriander leaf and seed, tarragon, lovage, Ocimum basilicum, laurel, myrtle leaf and berry, rosemary, clary sage and calabash nutmeg

Definition

ChEBI: A monoterpenoid that is the acetate ester derivative of geraniol.

Preparation

From geraniol by acetylation or by fractional distillation of essential oils in which it is present.

Aroma threshold values

Detection: 9 to 460 ppb.

Taste threshold values

Taste characteristics at 20 ppm: green, foral, fruity with a citrus nuance.

Flammability and Explosibility

Nonflammable

Purification Methods

Purify the fragrant smelling geranyl acetate by fractional distillation at as high a vacuum as possible. It is very soluble in EtOH but insoluble in H2O. [Beilstein 2 H 140, 2 I 65, 2 II 153, 2 III 299, 2 IV 204.]

References

[1] SENA OHTSUBO. Inhibition of the compound action potentials of frog sciatic nerves by aroma oil compounds having various chemical structures.[J]. Pharmacology Research & Perspectives, 2015, 3 2: e00127. DOI: 10.1002/prp2.127
[2] SUZAN A. KHAYYAT Manal Y S. Bioactive epoxides and hydroperoxides derived from naturally monoterpene geranyl acetate[J]. Saudi Pharmaceutical Journal, 2018, 26 1: Pages 14-19. DOI: 10.1016/j.jsps.2017.11.005
[3] WON-IL CHO . Sporicidal Activities of Various Surfactant Components against Bacillus subtilis Spores[J]. Journal of food protection, 2015, 78 6: Pages 1221-1225. DOI: 10.4315/0362-028x.jfp-14-401
[4] FEI QI. Geraniol and geranyl acetate induce potent anticancer effects in colon cancer Colo-205 cells by inducing apoptosis, DNA damage and cell cycle arrest.[J]. Journal of Buon, 2018, 23 2: 346-352.

Material Safety Data Sheet(MSDS)

Questions And Answer

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