Acetic acid 3-methoxy-3-methylbutyl ester supplier

Name
3-METHOXY-3-METHYLBUTYL ACETATE
EINECS
CAS No. 103429-90-9
Density 0.939 g/cm³
Solubility
Melting Point
Formula C₈H₁₆O₃
Boiling Point 191 °C at 760 mmHg
Molecular Weight 160.21
Flash Point 62.1 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols
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;
PSA 35.53000
LogP 1.36460

Acetic acid 3-methoxy-3-methylbutyl ester 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

Product Name

3-METHOXY-3-METHYLBUTYL ACETATE

Acetic acid 3-methoxy-3-methylbutyl ester Specification

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