Basic information
- Name:
Trimethyl orthobutyrate
- CAS No.:
43083-12-1
- Molecular Structure:
- Formula:
- C7H16O3
- Molecular Weight:
- 148.20
- Synonyms:
- 1,1,1-Trimethoxybutane;butane, 1,1,1-trimethoxy-;
- EINECS:
- 256-079-9
- Density:
- 0.907 g/cm3
- Boiling Point:
- 146 °C at 760 mmHg
- Flash Point:
- 35 °C
- Appearance:
- Clear colorless to slightly yellow liquid
- Hazard Symbols:
Xi- Risk Codes:
- 10-36/37/38
- Safety Description:
- 22-36 Details
- Transport Information:
- UN 3272
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Specification
The Trimethyl orthobutyrate, with the CAS registry number 43083-12-1 and EINECS registry number 256-079-9, has the systematic name of 1,1,1-trimethoxybutane. And the molecular formula of this chemical is C7H16O3. It is a kind of clear colorless to slightly yellow liquid, and belongs to the following product categories: Intermediates of Dyes and Pigments; Orthoesters.
The physical properties of Trimethyl orthobutyrate are as following: (1)ACD/LogP: 1.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.96; (4)ACD/LogD (pH 7.4): 1.96; (5)ACD/BCF (pH 5.5): 18.3; (6)ACD/BCF (pH 7.4): 18.3; (7)ACD/KOC (pH 5.5): 278.76; (8)ACD/KOC (pH 7.4): 278.76; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 27.69 Å2; (13)Index of Refraction: 1.401; (14)Molar Refractivity: 39.68 cm3; (15)Molar Volume: 163.2 cm3; (16)Polarizability: 15.73×10-24cm3; (17)Surface Tension: 24.9 dyne/cm; (18)Density: 0.907 g/cm3; (19)Flash Point: 35 °C; (20)Enthalpy of Vaporization: 36.72 kJ/mol; (21)Boiling Point: 146 °C at 760 mmHg; (22)Vapour Pressure: 5.98 mmHg at 25°C.
Uses of Trimethyl orthobutyrate: It can react with 2-oxo-2H-cyclohepta[b]furan-3-carbonitrile to produce 3-ethyl-2-methoxy-azulene-1-carbonitrile. And the yield is about 99%.
![Trimethyl orthobutyrate can react with 2-oxo-2H-cyclohepta[b]furan-3-carbonitrile to produce 3-ethyl-2-methoxy-azulene-1-carbonitrile](/UserFilesUpload/Uses of Trimethyl orthobutyrate.jpg)
You should be cautious while dealing with this chemical. It is a kind of flammable chemical which irritates eyes, respiratory system and skin. Therefore, you had better take the following instructions: Do not breathe dust; Wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)SMILES: O(C)C(OC)(OC)CCC
(2)InChI: InChI=1/C7H16O3/c1-5-6-7(8-2,9-3)10-4/h5-6H2,1-4H3
(3)InChIKey: JAFMOTJMRSZOJE-UHFFFAOYAK