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Cas Database |
| Name |
Bicyclo(2.2.1)heptan-2-ol, 1,3,3-trimethyl-, 2-acetate |
EINECS | 237-588-5 |
| CAS No. | 13851-11-1 | Density | 1.008 g/cm3 |
| PSA | 26.30000 | LogP | 2.76430 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C12H20O2 | Boiling Point | 219.828 °C at 760 mmHg |
| Molecular Weight | 196.29 | Flash Point | 87.393 °C |
| Transport Information | N/A | Appearance | Colourless mobile liquid; Mild, sweet, fir oil type aroma |
| Safety | 26-36 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
2-Norbornanol,1,3,3-trimethyl-, acetate (6CI,8CI);Bicyclo[2.2.1]heptan-2-ol,1,3,3-trimethyl-, acetate (9CI);Fenchyl acetate;NSC 404295; |
Article Data | 15 |
Bicyclo(2.2.1)heptan-2-ol, 1,3,3-trimethyl-, 2-acetate Synthetic route
| Conditions | Yield |
|---|---|
| With PPA |
| Conditions | Yield |
|---|---|
| With PPA |
| Conditions | Yield |
|---|---|
| acetic acid dl-fenchyl ester; |
| Conditions | Yield |
|---|---|
| acetic acid Ld"-fenchyl ester; |
| Conditions | Yield |
|---|---|
| With oxygen In water at 100℃; under 15001.5 Torr; for 10h; Inert atmosphere; |
- 80-56-8, 177698-18-9
Pinene
- 64-19-7
acetic acid
A
- 586-62-9
Terpinolene
B
- 13851-11-1
α-fenchyl acetate
C
- 79-92-5
camphene
- 76-49-3
endo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl acetate
E
- 138-86-3
limonene.
| Conditions | Yield |
|---|---|
| at 150℃; under 4500.45 Torr; Reagent/catalyst; Microwave irradiation; |
- 80-56-8, 177698-18-9
Pinene
- 64-19-7
acetic acid
A
- 586-62-9
Terpinolene
B
- 13851-11-1
α-fenchyl acetate
C
- 79-92-5
camphene
- 76-49-3
endo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl acetate
E
- 80-26-2
terpinyl acetate
F
- 138-86-3
limonene.
| Conditions | Yield |
|---|---|
| With triacetoxyborane at 150℃; under 4500.45 Torr; Microwave irradiation; |
- 80-56-8, 177698-18-9
Pinene
- 108-24-7
acetic anhydride
A
- 13851-11-1
α-fenchyl acetate
B
- 80-26-2
terpinyl acetate
| Conditions | Yield |
|---|---|
| With water In dichloromethane at 40℃; for 4h; Catalytic behavior; Temperature; Reagent/catalyst; | A n/a B 52.83 %Spectr. C n/a |
Bicyclo(2.2.1)heptan-2-ol, 1,3,3-trimethyl-, 2-acetate Consensus Reports
Reported in EPA TSCA Inventory.
Bicyclo(2.2.1)heptan-2-ol, 1,3,3-trimethyl-, 2-acetate Specification
The Fenchyl acetate ,its cas register number is 13851-11-1. The IPUAC name about this chemicals is (2,2,4-trimethyl-3-bicyclo[2.2.1]Heptanyl) acetate .The index of refraction about it is 1.48, molar refractivity is 55.34 cm3 , molar volume is 194.7 cm3 and surface tension is 32.6 dyne/cm. also, it have other chemical properties, for example, the enthalpy of vaporization about this chemicals is 45.62 kJ/mol, vapour pressure is 0.117 mmHg at 25°C, refractive index is n20/D 1.456(lit.) and so on. Classification code about this chemicals is Skin / Eye Irritant .
The Fenchyl acetate is a colourless mobile liquid with mild, sweet, fir oil type aroma. It can be used as a soap flavor. If you want to use it, you shoulde be more careful, because it is irritating to eyes, respiratory system and skin. In the use process, you need to wear suitable protective clothing, and in case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Expect these measures, it also have some important safety imformations, WGK Germany about it is 2, RTECS number is RB7660000.
This chemicals can be described computed from structure:
1) Canonical SMILES: CC(=O)OC1C(C2CCC1(C2)C)(C)C
2) InChI: InChI=1S/C12H20O2/c1-8(13)14-10-11(2,3)9-5-6-12(10,4)7-9/h9-10H,5-7H2,1-4H3
3) InChIKey: JUWUWIGZUVEFQB-UHFFFAOYSA-N
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