ChemicalBook--->CAS DataBase List--->76-49-3

76-49-3

76-49-3 Structure

76-49-3 Structure
IdentificationBack Directory
[Name]

Bornyl acetate
[CAS]

76-49-3
[Synonyms]

bornyl
FEMA 2159
bornyl aceate
Borneylacetate
BORNYL ACETATE
Bornylethanoate
Borneol,acetate
1-BORNYLACETATE
Borneol, acetate
dl-Bornylacetate
Bornylaceticester
endo-Bornylacetate
Bornyl acetic ether
2-Camphanol acetate
BORNYL ACETATE 97+%
Acetic acid isobornyl
acetic acid 2-bornyl ester
endo-2-Camphanyl ethanoate
Acetic acid isobornyl ester
1,7,7-Trimethylbicyclo(2.2.1)heptan-2-ol acetate
1,7,7-Trimethylbicyclo[2.2.1]heptane-2-yl=acetate
(1,7,7-trimethyl-6-bicyclo[2.2.1]heptanyl) acetate
Bornyl acetate Acetic acid isobornyl ester
endo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl acetate
Acetic acid 1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl
(1,7,7-trimethyl-6-bicyclo[2.2.1]heptanyl) ethanoate
1,7,7-trimethyl-,acetate,endo-bicyclo[2.2.1]heptan-2-o
1,7,7-trimethyl-,acetate,endo-Bicyclo[2.2.1]heptan-2-ol
Bicyclo[2.2.1]heptan-2-ol,1,7,7-trimethyl-,acetate,endo-
Acetic acid 1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl ester
Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate, endo-
Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate, (1R,2S,4R)-
Bicyclo[2.2.1]heptan-2-ol,1,7,7-trimethyl-,acetate,(1R,2S,4R)-rel-
Bicyclo[2.2.1]heptan-2-ol,1,7,7-trimethyl-, 2-acetate, (1R,2S,4R)-rel-
[EINECS(EC#)]

200-964-4
[Molecular Formula]

C12H20O2
[MDL Number]

MFCD00135944
[MOL File]

76-49-3.mol
[Molecular Weight]

196.29
Chemical PropertiesBack Directory
[Melting point ]

29°C
[alpha ]

-41 º (neat)
[Boiling point ]

228-231 °C(lit.)
[density ]

0.985 g/mL at 25 °C(lit.)
[FEMA ]

2159 | BORNYL ACETATE
[refractive index ]

n20/D 1.4635(lit.)
[Fp ]

192 °F
[storage temp. ]

Store at -20°C
[solubility ]

DMF: 25mg/mL; DMF:PBS (pH 7.2) (1:3): 0.25mg/mL; DMSO: 2mg/mL; Ethanol: 15mg/mL
[form ]

An oil
[color ]

Colorless to light yellow
[Odor]

at 100.00 %. woody pine herbal cedar spice
[Odor Type]

balsamic
[JECFA Number]

1387
[Merck ]

13,1329
[Dielectric constant]

4.6(21℃)
[Cosmetics Ingredients Functions]

FRAGRANCE
[LogP]

3.86
[CAS DataBase Reference]

76-49-3
[NIST Chemistry Reference]

Bornyl acetate(76-49-3)
[EPA Substance Registry System]

Bicyclo[2.2.1]heptan- 2-ol, 1,7,7-trimethyl-, acetate, (1R,2S,4R)-rel-(76-49-3)
Hazard InformationBack Directory
[Uses]

Antineoplastic; radioactive agent.
[Chemical Properties]

Bornyl acetate has a fresh, strong, piney odor and a fresh, burning taste.
[Chemical Properties]

Bornyl acetate occurs in its optically active forms and as a racemate in many essential oils.
(1S,2R,4S)-(?)-Bornyl acetate is a characteristic component of most conifer oils. It has a camphoraceous, pine-needle-like odor. Both (1R,2S,4R)- (+)-bornyl acetate and (?)-bornyl acetate form colorless crystals; the racemate is a colorless liquid. Bornyl acetate is prepared by esterification of borneol with acetic anhydride or via the process described under borneol.
Due to its characteristic pine-needle odor, bornyl acetate is frequently used in conifer needle compositions, soaps, bath products, room sprays, and pharmaceutical products.
[Occurrence]

Reported found in the oils of Abies canadensis, A. concolor, Picea canadensis, P. rubens, P. orientalis, Pinus densiflora, Larix americana, Callitris drum-mondi, Abies alba, Pinus punulio, Abies sibirica L., and in coriander, thyme and valerian oil; it has been identified in the essence from flowers of Chrysanthemum sincuse Sabin, in the distillate of Teucrium chamaedris L., and in the fresh rhizomes of Valeriana officinalis L.; d-bornyl acetate is found in the essential oils of Callitris glauca, C. robusta, C. gracilis, C. verrucosa and C. calcarata; the presence of acetate has been excluded from the essence of lavender and lavandin.
[Aroma threshold values]

Detection: 75 ppb to 1.38 ppm
[Taste threshold values]

Taste characteristics at 10 ppm: camphoreous, woody, mentholic, berry and seedy with soapy, woody nuances.
[Synthesis]

l-Bornyl acetate occurs naturally in many oils distilled from the leaves of plants of the family Pinaceae; d-bornyl acetate is found in the oils distilled from plants of the family Cupressaceae; bornyl acetate, therefore may be isolated by distillation and crystallization from these; however, it is commonly prepared by direct acetylation of borneol; the first synthesis dates to 1889.
[storage]

Store at -20°C
Safety DataBack Directory
[WGK Germany ]

1
[TSCA ]

TSCA listed
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Turpentine oil
[Preparation Products]

Terpinolene
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Bornyl acetate(76-49-3).msds
Spectrum DetailBack Directory
[Spectrum Detail]

Bornyl acetate(76-49-3)1HNMR
Bornyl acetate(76-49-3)13CNMR
Bornyl acetate(76-49-3)IR1
Bornyl acetate(76-49-3)Raman
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