tert-Butyl 3-butenoate supplier

Name
TERT-BUTYL 3-BUTENOATE
EINECS 628-486-5
CAS No. 14036-55-6
Article Data20
CAS DataBase
Density 0.893 g/cm³
Solubility
Melting Point
Formula C₈H₁₄O₂
Boiling Point 154.1 °C at 760 mmHg
Molecular Weight 142.198
Flash Point 49.9 °C
Transport Information UN 3272 3/PG 3
Appearance
Safety 26
Risk Codes 10-22-36/37/38
Molecular Structure
Hazard Symbols Xn
Synonyms tert-butyl but-3-enoate;
PSA 26.30000
LogP 1.90420

tert-Butyl 3-butenoate Specification

The tert-Butyl 3-butenoate with the CAS number 14036-55-6 is also called 3-Butenoic acid,1,1-dimethylethyl ester. Its molecular formula is C₈H₁₄O₂. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 2.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.23; (4)ACD/LogD (pH 7.4): 2.23; (5)ACD/BCF (pH 5.5): 29.31; (6)ACD/BCF (pH 7.4): 29.31; (7)ACD/KOC (pH 5.5): 390.58; (8)ACD/KOC (pH 7.4): 390.58; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.423; (14)Molar Refractivity: 40.57 cm³; (15)Molar Volume: 159.2 cm³; (16)Polarizability: 16.08×10^-24cm³; (17)Surface Tension: 25.9 dyne/cm; (18)Enthalpy of Vaporization: 39.09 kJ/mol; (19)Vapour Pressure: 3.22 mmHg at 25°C.

While using this chemical, you should be very cautious. This chemical is flammable and harmful if swallowed. It is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. 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: O=C(OC(C)(C)C)C/C=C
(2)InChI: InChI=1/C8H14O2/c1-5-6-7(9)10-8(2,3)4/h5H,1,6H2,2-4H3
(3)InChIKey: NGASWKRTXGWPNN-UHFFFAOYAG

Product Name

TERT-BUTYL 3-BUTENOATE

tert-Butyl 3-butenoate Specification

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