Isobornyl propanoate supplier

Name
Isobornyl propanoate
EINECS 220-410-5
CAS No. 2756-56-1
Article Data1
CAS DataBase
Density 0.996 g/cm³
Solubility 19.8mg/L at 24℃
Melting Point
Formula C₁₃H₂₂O₂
Boiling Point 237.205 °C at 760 mmHg
Molecular Weight 210.316
Flash Point 99.324 °C
Transport Information
Appearance colorless to light yellow liquid
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Bicyclo[2.2.1]heptan-2-ol,1,7,7-trimethyl-, propanoate, (1R,2R,4R)-rel- (9CI);Bicyclo[2.2.1]heptan-2-ol,1,7,7-trimethyl-, propanoate, exo-;Isoborneol, propionate (7CI,8CI);Propionicacid, isobornyl ester (6CI);Isobornyl propionate;NSC67993;
PSA 26.30000
LogP 3.15440

Isobornyl propanoate Specification

The Isobornyl propanoate with the CAS number 2756-56-1 is also called Bicyclo[2.2.1]heptan-2-ol,1,7,7-trimethyl-, propanoate, exo-. Its EINECS registry number is 220-410-5. The molecular formula is C₁₃H₂₂O₂. This chemical belongs to the following product categories: (1)Alphabetical Listings; (2)Flavors and Fragrances; (3)I-L.

The properties of the Isobornyl propanoate are: (1)ACD/LogP: 4.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.13; (4)ACD/LogD (pH 7.4): 4.13; (5)ACD/BCF (pH 5.5): 815.94; (6)ACD/BCF (pH 7.4): 815.94; (7)ACD/KOC (pH 5.5): 4224.4; (8)ACD/KOC (pH 7.4): 4224.4; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3Å²; (13)Index of Refraction: 1.48; (14)Molar Refractivity: 59.97 cm³; (15)Molar Volume: 211.1 cm³; (16)Polarizability: 23.77×10^-24cm³; (17)Surface Tension: 32.9 dyne/cm; (18)Enthalpy of Vaporization: 47.4 kJ/mol; (19)Vapour Pressure: 0.0454 mmHg at 25°C.

While using this chemical, you should be very cautious. This chemical is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: CCC(=O)O[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C
(2)InChI: InChI=1/C13H22O2/c1-5-11(14)15-10-8-9-6-7-13(10,4)12(9,2)3/h9-10H,5-8H2,1-4H3/t9-,10-,13+/m0/s1
(3)InChIKey: FAFMZORPAAGQFV-OUJBWJOFBT

Product Name

Isobornyl propanoate

Isobornyl propanoate Specification

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