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1,4-Butanediol,1,4-diacetate

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Name

1,4-Butanediol,1,4-diacetate

EINECS
CAS No. 628-67-1 Density 1.039 g/cm3
Solubility Melting Point 12-15°C
Formula C8H14O4 Boiling Point 227.4 °C at 760 mmHg
Molecular Weight 174.19 Flash Point 105.2 °C
Transport Information Appearance
Safety 24/25 Risk Codes
Molecular Structure Molecular Structure of 628-67-1 (1,4-Butanediol,1,4-diacetate) Hazard Symbols
Synonyms

1,4-Butanediol,diacetate (6CI,7CI,8CI,9CI);1,4-Butylene glycol diacetate;1,4-Diacetoxybutane;Butylene glycol diacetate;NSC 67924;Tetramethyleneacetate;Tetramethylene diacetate;

 

1,4-Butanediol,1,4-diacetate Specification

The 1,4-Butanediol,1,4-diacetate, with CAS registry number 628-67-1, has the systematic name of butane-1,4-diyl diacetate. Besides this, it is also called 4-(Acetyloxy)butyl acetate. And the chemical formula of this chemical is C8H14O4. When use this chemical, please avoid contact with skin and eyes.

Physical properties of 1,4-Butanediol,1,4-diacetate: (1)ACD/LogP: 0.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.96; (4)ACD/LogD (pH 7.4): 0.96; (5)ACD/BCF (pH 5.5): 3.18; (6)ACD/BCF (pH 7.4): 3.18; (7)ACD/KOC (pH 5.5): 79.66; (8)ACD/KOC (pH 7.4): 79.66; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 52.6 Å2; (13)Index of Refraction: 1.422; (14)Molar Refractivity: 42.66 cm3; (15)Molar Volume: 167.5 cm3; (16)Polarizability: 16.91×10-24cm3; (17)Surface Tension: 32.4 dyne/cm; (18)Density: 1.039 g/cm3; (19)Flash Point: 105.2 °C; (20)Enthalpy of Vaporization: 46.4 kJ/mol; (21)Boiling Point: 227.4 °C at 760 mmHg; (22)Vapour Pressure: 0.0777 mmHg at 25°C.

Preparation: this chemical can be prepared by tetrahydrofuran and acetic acid anhydride. This reaction will need reagent HCl and solvent acetic acid.

1,4-Butanediol,1,4-diacetate can be prepared by tetrahydrofuran and acetic acid anhydride

Uses of 1,4-Butanediol,1,4-diacetate: it can be used to produce acetic acid-(4-hydroxy-butyl ester). This reaction will need solvents methanol, CHCl3. The reaction time is 48 hour(s).

Uses of 1,4-Butanediol,1,4-diacetate: it can be used to produce acetic acid-(4-hydroxy-butyl ester).

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCCCCOC(=O)C)C
(2)InChI: InChI=1/C8H14O4/c1-7(9)11-5-3-4-6-12-8(2)10/h3-6H2,1-2H3
(3)InChIKey: XUKSWKGOQKREON-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C8H14O4/c1-7(9)11-5-3-4-6-12-8(2)10/h3-6H2,1-2H3
(5)Std. InChIKey: XUKSWKGOQKREON-UHFFFAOYSA-N

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