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| CAS No.: | 6143-29-9 |
|---|---|
| Name: | 5-NORBORNEN-2-YL ACETATE |
| Molecular Structure: | |
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| Formula: | C9H12O2 |
| Molecular Weight: | 152.193 |
| Synonyms: | 5-Norbornen-2-ol,acetate (6CI,7CI,8CI);Bicyclo[2.2.1]hept-5-en-2-ol, acetate (9CI);5-Norbornen-2-yl acetate;NSC 29887;5-bicyclo[2.2.1]hept-2-enyl acetate;bicyclo[2.2.1]hept-5-en-2-yl acetate; |
| EINECS: | 228-144-1 |
| Density: | 1.09 g/cm3 |
| Melting Point: | 73-76 °C14 mm Hg(lit.) |
| Boiling Point: | 184.7 °C at 760 mmHg |
| Flash Point: | 62.2 °C |
| Appearance: | clear colorless to faintly yellow liquid |
| Safety: | 24/25 |
| PSA: | 26.30000 |
| LogP: | 1.51410 |
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Specification
The Bicyclo[2.2.1]hept-5-en-2-ol,2-acetate, with the CAS registry number 6143-29-9 and EINECS registry number 228-144-1, has the systematic name of bicyclo[2.2.1]hept-5-en-2-yl acetate. It is a kind of clear colorless to faintly yellow liquid, and belongs to the following product categories: C8 to C9; Carbonyl Compounds; Esters; Norbornene Derivatives. And the molecular formula of the chemical is C9H12O2. What's more, while dealing with this chemical, you should avoid contacting with skin and eyes.
The characteristics of Bicyclo[2.2.1]hept-5-en-2-ol,2-acetate are as followings: (1)ACD/LogP: 1.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.64; (4)ACD/LogD (pH 7.4): 1.64; (5)ACD/BCF (pH 5.5): 10.47; (6)ACD/BCF (pH 7.4): 10.47; (7)ACD/KOC (pH 5.5): 186.93; (8)ACD/KOC (pH 7.4): 186.93; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.508; (14)Molar Refractivity: 41.32 cm3; (15)Molar Volume: 138.5 cm3; (16)Polarizability: 16.38×10-24cm3; (17)Surface Tension: 35.5 dyne/cm; (18)Density: 1.09 g/cm3; (19)Flash Point: 62.2 °C; (20)Enthalpy of Vaporization: 42.09 kJ/mol; (21)Boiling Point: 184.7 °C at 760 mmHg; (22)Vapour Pressure: 0.724 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OC2C1\C=C/C(C1)C2)C
(2)InChI: InChI=1/C9H12O2/c1-6(10)11-9-5-7-2-3-8(9)4-7/h2-3,7-9H,4-5H2,1H3
(3)InChIKey: DRWRVXAXXGJZIO-UHFFFAOYAC