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125-12-2

125-12-2 Structure

125-12-2 Structure
IdentificationMore
[Name]

Isobornyl acetate
[CAS]

125-12-2
[Synonyms]

2-BORNANOL:ACETATE, EXO
2-CAMPHANYL ACETATE
ACETIC ACID ISOBORNYL ESTER
BORNYL ACETATE (ISO)
D,L-ISOBORNYL ACETATE
exo-1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl acetate
EXO-(1R)-1,7,7-TRIMETHYLBICYCLO[2.2.1]HEPT-2-YL ACETATE
FEMA 2160
ISO-BORNEOL ACETATE
ISOBORNYL ACETATE
Pichtosine
1,7,7-trimethyl-,acetate,exo-bicyclo(2.2.1)heptan-2-o
1,7,7-trimethyl-,acetate,exo-bicyclo[2.2.1]heptan-2-o
1,7,7-trimethyl-,acetate,exo-Bicyclo[2.2.1]heptan-2-ol
1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl acetate
Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate, exo-
Bicyclo[2.2.1]heptan-2-ol,1,7,7-trimethyl-,acetate,(1R,2R,4R)-rel-
Bicyclo[2.2.1]heptan-2-ol,1,7,7-trimethyl-,acetate,exo-
exo-Bornyl acetate
Pichtosin
[EINECS(EC#)]

204-727-6
[Molecular Formula]

C12H20O2
[MDL Number]

MFCD00135943
[Molecular Weight]

196.29
[MOL File]

125-12-2.mol
Chemical PropertiesBack Directory
[Melting point ]

29°C
[Boiling point ]

229-233 °C (lit.)
[density ]

0.983 g/mL at 25 °C(lit.)
[vapor pressure ]

0.13 hPa (20 °C)
[FEMA ]

2160
[refractive index ]

n20/D 1.4635(lit.)
[Fp ]

190 °F
[storage temp. ]

Store below +30°C.
[solubility ]

0.16g/l
[form ]

Oil
[color ]

Colourless
[Specific Gravity]

0.98
[Odor]

at 100.00 %. balsam camphor herbal woody sweet
[Stability:]

Stable. Flammable. Incompatible with strong oxidizing agents.
[Odor Type]

balsamic
[Water Solubility ]

Not miscible or difficult to mix with water.
[JECFA Number]

1388
[BRN ]

3197572
[InChIKey]

XWIGWPJZNFZLBG-UHFFFAOYSA-N
[LogP]

3.86
[Uses]

Compounding pine-needle odors, toilet waters, bath preparations, antiseptics, theater sprays, soaps, making synthetic camphor, flavoring agent.
[CAS DataBase Reference]

125-12-2(CAS DataBase Reference)
[NIST Chemistry Reference]

Isobornyl acetate(125-12-2)
[EPA Substance Registry System]

125-12-2(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 .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[WGK Germany ]

1
[RTECS ]

NP7350000
[Autoignition Temperature]

440 °C DIN 51794
[TSCA ]

Yes
[HS Code ]

29153900
[Hazardous Substances Data]

125-12-2(Hazardous Substances Data)
[Toxicity]

LD50 orally in Rabbit: > 10000 mg/kg LD50 dermal Rabbit > 20000 mg/kg
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Acetic acid-->Turpentine oil-->Metatitanic acid-->(2S)-1-(3-Acetylthio-2-methyl-1-oxopropyl)-L-proline-->ALPHA-PINENE-->DL-Isoborneol
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Pichtosine(125-12-2).msds
Questions And AnswerBack Directory
[Description]

Isobornyl acetate is a kind of acetate ester. It can be manufactured through the esterification between acetate and camphene. It is a kind of flavoring agent with fragrance. It can be used as the intermediate needed for producing medical synthetic camphor.
[References]

Ning, Chunli, et al. "Study on the catalyst for the synthesis of isobornyl acetate." Industrial Catalysis (2012). Opdyke, D. L. J. "Monographs on fragrance raw materials: Isobornyl acetate." Food & Cosmetics Toxicology 13.5(1975): 552-552. Chimal-Valencia, O, et al. "Ion exchange resins as catalyst for the isomerization of alpha-pinene to camphene. " Bioresource Technology 93.2(2004): 119-123.
Hazard InformationBack Directory
[Chemical Properties]

Colorless liquid; pine-needle odor.Soluble in most fixed oils and in mineral oil; insoluble in glycerol and water. Combustible.
[Chemical Properties]

Isobornyl acetate has a pleasant, camphor-like odor reminiscent of some varieties of pine needles and hemlock and a fresh, burning taste
[Chemical Properties]

Isobornyl Acetate has been identified in a number of essential oils. It is a colorless liquid with a pleasant, pine-needle odor. Isobornyl acetate is prepared from camphene and acetic acid in the presence of acidic catalysts (e.g., sulfuric acid) or on a styrene–divinylbenzene acid ion-exchanger.
Isobornyl acetate is used in large amounts for perfuming soaps, bath products, and air fresheners. However, the major use of isobornyl acetate is as an intermediate in the production of camphor.
[Occurrence]

Reported found in thymus, Parmesan cheese, dill herb, Ocimum basilicum, rosemary and custard apple
[Preparation]

By treatment of camphene with acetic acid, usually in the presence of a catalyst; also by acetylation of isoborneol; depending on the starting material (d-camphene or l-camphene), the resulting acetate may exhibit slight optical activity; the commercial product is considered to be optically inactive
[Aroma threshold values]

Aroma characteristics at 1.0%: camphoraceous woody,sweet, citrus and herbal with “Irish Spring” soapy nuances
[Taste threshold values]

Taste characteristics at 2 to 10 ppm: camphoraceous, woody, terpy and piney with a spicy, herbal and slightly citrus nuance
Spectrum DetailBack Directory
[Spectrum Detail]

Isobornyl acetate(125-12-2)MS
Isobornyl acetate(125-12-2)1HNMR
Isobornyl acetate(125-12-2)13CNMR
Isobornyl acetate(125-12-2)IR1
Isobornyl acetate(125-12-2)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

Isobornyl acetate, 94%(125-12-2)
[Sigma Aldrich]

125-12-2(sigmaaldrich)
[TCI AMERICA]

Isobornyl Acetate,>90.0%(GC)(125-12-2)
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