CAS No.14036-55-6,TERT-BUTYL 3-BUTENOATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	14036-55-6
Name:	TERT-BUTYL 3-BUTENOATE
Article Data:	20

Formula:	C₈H₁₄O₂
Molecular Weight:	142.198
Synonyms:	tert-butyl but-3-enoate;
EINECS:	628-486-5
Density:	0.893 g/cm³
Boiling Point:	154.1 °C at 760 mmHg
Flash Point:	49.9 °C
Hazard Symbols:	Xn
Risk Codes:	10-22-36/37/38
Safety:	26
Transport Information:	UN 3272 3/PG 3
PSA:	26.30000
LogP:	1.90420

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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