CAS No.103429-90-9,3-METHOXY-3-METHYLBUTYL ACETATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	103429-90-9
Name:	3-METHOXY-3-METHYLBUTYL ACETATE

Formula:	C₈H₁₆O₃
Molecular Weight:	160.21
Synonyms:	1-Butanol,3-methoxy-3-methyl-, acetate (9CI);1-Acetoxy-3-methoxy-3-methylbutane;3-Methoxy-3-methyl-1-butanol acetate;3-Methoxy-3-methyl-1-butyl acetate;3-Methoxy-3-methylbutyl acetate;3-Methyl-3-methoxy-1-butyl acetate;3-Methyl-3-methoxybutyl acetate;Solfit AC;
Density:	0.939 g/cm³
Boiling Point:	191 °C at 760 mmHg
Flash Point:	62.1 °C
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	35.53000
LogP:	1.36460

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Specification

The 1-Butanol,3-methoxy-3-methyl-, 1-acetate, with the CAS registry number 103429-90-9, is also known as Acetic acid 3-methoxy-3-methylbutyl ester. This chemical's molecular formula is C₈H₁₆O₃ and molecular weight is 160.21. What's more, both its IUPAC name and systematic name are the same which is called (3-Methoxy-3-methylbutyl) acetate.

Physical properties about 1-Butanol,3-methoxy-3-methyl-, 1-acetate are: (1)ACD/LogP: 1.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.1; (4)ACD/LogD (pH 7.4): 1.1; (5)ACD/BCF (pH 5.5): 4.04; (6)ACD/BCF (pH 7.4): 4.04; (7)ACD/KOC (pH 5.5): 94.58; (8)ACD/KOC (pH 7.4): 94.58; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.413; (14)Molar Refractivity: 42.59 cm³; (15)Molar Volume: 170.4 cm³; (16)Surface Tension: 27.3 dyne/cm; (17)Density: 0.939 g/cm³; (18)Flash Point: 62.1 °C; (19)Enthalpy of Vaporization: 42.72 kJ/mol; (20)Boiling Point: 191 °C at 760 mmHg; (21)Vapour Pressure: 0.525 mmHg at 25 °C.

When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin eyes and respiratory system or other mucous membranes. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. And in case of contacting 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(OCCC(OC)(C)C)C
(2) InChI: InChI=1/C8H16O3/c1-7(9)11-6-5-8(2,3)10-4/h5-6H2,1-4H3
(3) InChIKey: RYNQKSJRFHJZTK-UHFFFAOYAK