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Merck
CN

75607

Trimethyl orthovalerate

purum, ≥97.0% (GC)

Synonym(s):

1,1,1-Trimethoxypentane

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About This Item

Linear Formula:
CH3CH2CH2CH2C(OCH3)3
CAS Number:
13820-09-2
Molecular Weight:
162.23
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
329766163
EC Number:
237-496-5
Beilstein/REAXYS Number:
1739200
MDL number:
MFCD00008481

Key Documents

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Product Name

Trimethyl orthovalerate, purum, ≥97.0% (GC)

InChI key

XUXVVQKJULMMKX-UHFFFAOYSA-N

InChI

1S/C8H18O3/c1-5-6-7-8(9-2,10-3)11-4/h5-7H2,1-4H3

SMILES string

CCCCC(OC)(OC)OC

grade

purum

assay

≥97.0% (GC)

form

liquid

refractive index

n20/D 1.410 (lit.)
n20/D 1.410

bp

164-166 °C (lit.)

density

0.941 g/mL at 25 °C (lit.)

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Application

Trimethyl orthovalerate is used in the synthesis of 1,2,4-triazolo[1,5-c]pyrimidine derivatives as human adenosine A3 receptor ligands. It can also be used as a precursor to prepare N-sulfonyl and N-sulfinyl imines and imidates.

pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2

Storage Class

3 - Flammable liquids

wgk

WGK 3

flash_point_f

107.6 °F - closed cup

flash_point_c

42 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
WXBC5363V
WXBC4800V
WXBC3272V
WXBC2854V
WXBB3871V

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Metal Free, Microwave Assisted Preparation of N-Sulfonyl and N-Sulfinyl Imines and Imidates.
Verrier C, et al.
ACS sustainable chemistry & engineering, 14(10), 2443-2446 (2018)
Facile synthesis of fused 1, 2, 4-triazolo [1, 5-c] pyrimidine derivatives as human adenosine A 3 receptor ligands.
Okamura T, et al.
Bioorganic & Medicinal Chemistry Letters, 14(10), 2443-2446 (2004)

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