Basic information
- Name:
Trimethyl orthovalerate
- CAS No.:
13820-09-2
- Molecular Structure:
- Formula:
- C8H18O3
- Molecular Weight:
- 162.23
- Synonyms:
- Orthovalericacid, trimethyl ester (6CI,7CI,8CI);1,1,1-Trimethoxypentane;Trimethylorthopentanoate;
- EINECS:
- 237-496-5
- Density:
- 0.902 g/cm3
- Boiling Point:
- 165 °C at 760 mmHg
- Flash Point:
- 41.7 °C
- Appearance:
- Colorless liquid
- Hazard Symbols:
Xi,
F- Risk Codes:
- 36/37/38-10-36/38
- Safety Description:
- 37/39-26-16-36 Details
- Transport Information:
- UN 3272
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Chemistry
Product Name: Trimethyl orthovalerate (CAS NO.13820-09-2)
Molecular Formula: C8H18O3
Molecular Weight: 162.23g/mol
Mol File: 13820-09-2.mol
EINECS: 237-496-5
Boiling point: 165 °C at 760 mmHg
Storage Temperature: Flammables area
Flash Point: 41.7 °C
Density: 0.902 g/cm3
Refractive index: 1.408-1.41
Sensitive: Moisture Sensitive
Index of Refraction: 1.407
Molar Refractivity: 44.31 cm3
Molar Volume: 179.7 cm3
Surface Tension: 25.6 dyne/cm
Enthalpy of Vaporization: 38.5 kJ/mol
Vapour Pressure: 2.51 mmHg at 25°C
XLogP3-AA: 1.7
H-Bond Donor: 0
H-Bond Acceptor: 3
Structure Descriptors of Trimethyl orthovalerate (CAS NO.13820-09-2):
IUPAC Name: 1,1,1-trimethoxypentane
Canonical SMILES: CCCCC(OC)(OC)OC
InChI: InChI=1S/C8H18O3/c1-5-6-7-8(9-2,10-3)11-4/h5-7H2,1-4H3
InChIKey: XUXVVQKJULMMKX-UHFFFAOYSA-N
Product Categories: Miscellaneous; Orthoesters
Toxicity Data With Reference
Safety Information of Trimethyl orthovalerate (CAS NO.13820-09-2):
Hazard Codes: 
Xi, 
F
The Risk Statements information of Trimethyl Orthovalerate:
10: Flammable
36/37/38: Irritating to eyes, respiratory system and skin
36/38: Irritating to eyes and skin
The Safety Statements information of Trimethyl Orthovalerate:
16: Keep away from sources of ignition - No smoking
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing
37/39: Wear suitable gloves and eye/face protection
RIDADR: 1993
HazardClass: 3
PackingGroup: III
Analytical Methods
The reaction of 4-amino-1H-imidazole-5-carbonitrile with trimethyl orthopentanoate in hot DMF gives methyl N-(5-cyano-1H-imidazol-4-yl)pentanoimidate , which is then cyclized with benzoic hydrazide in hot DMF to yield the target triazolo-purine derivative.
Specification
Trimethyl orthovalerate , its CAS NO. is 13820-09-2, the synonyms are 1,1,1-Trimethoxypentane ; Pentane, 1,1,1-trimethoxy- .