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ChemicalBook--->CAS DataBase List--->105-87-3

105-87-3

105-87-3 Structure

105-87-3 Structure
IdentificationMore
[Name]

Geranyl acetate
[CAS]

105-87-3
[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
[EINECS(EC#)]

203-341-5
[Molecular Formula]

C12H20O2
[MDL Number]

MFCD00015037
[Molecular Weight]

196.29
[MOL File]

105-87-3.mol
Chemical PropertiesBack Directory
[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
[Odor Type]

floral
[Water Solubility ]

<0.1 g/100 mL at 20 ºC
[JECFA Number]

58
[LogP]

4.04 at 20℃
[Uses]

Perfumery, flavoring
[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 DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[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 .
[RIDADR ]

UN1230 - class 3 - PG 2 - Methanol, solution
[WGK Germany ]

3
[RTECS ]

RG5920000
[F ]

10-23
[Hazard Note ]

Irritant
[TSCA ]

Yes
[HS Code ]

29153900
[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.
[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).
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sodium acetate trihydrate-->Geraniol-->Neroli oil-->LEMONGRASS OIL, WEST INDIAN TYPE-->CORIANDER OIL-->Ylang Ylang Oil-->2-Buten-1-ol, 4-chloro-3-methyl-, 1-acetate, (2E)--->3-Methylbut-2-enylmagnesium chloride, 0.50 M in THF-->ACETIC ACID LAVANDULYL ESTER
[Preparation Products]

(E,E)-8-acetoxy-2,6-dimethyl-2,6-octadien-1-ol-->NERYL ACETATE
Hazard InformationBack Directory
[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.]
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Geranyl acetate(105-87-3).msds
Questions And AnswerBack Directory
[Description]

Geranyl acetate, used in numerous essential oils, is one of the most important natural fragrances. It is a colorless organic liquid with a sweet fruity or citrus top-note aroma. It can be used in soaps, creams, and in food as a fragrant and flavoring agent, in over 60 flavors including rose, lavender, carrot, lemongrass, peach, citronella, and many more. It is a major constituent of lime oil, with great economic importance. In addition, its antifungal, anti-inflammatory, and antimicrobial effects have been investigated. It has been found safe for food use by the FDA.
[Reference]

http://silverstripe.fkit.hr/cabeq/assets/Uploads/Cabeq-2016-01-2232.pdf
https://en.wikipedia.org/wiki/Note_(perfumery)#Top_notes
http://ayurvedicoils.com/tag/general-uses-of-geranyl-acetate
https://www.sciencedirect.com/topics/agricultural-and-biological-sciences/geranyl-acetate
https://en.wikipedia.org/wiki/Geranyl_acetate
Spectrum DetailBack Directory
[Spectrum Detail]

Geranyl acetate(105-87-3)MS
Geranyl acetate(105-87-3)1HNMR
Geranyl acetate(105-87-3)13CNMR
Geranyl acetate(105-87-3)IR1
Geranyl acetate(105-87-3)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3,7-Dimethyl-trans-2,6-octadien-1-yl-acetate, mixture of isomers, 98%(105-87-3)
[Alfa Aesar]

Geranyl acetate, 98%(105-87-3)
[Sigma Aldrich]

105-87-3(sigmaaldrich)
[TCI AMERICA]

Geranyl Acetate,>70.0%(GC)(105-87-3)
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