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405817

Sigma-Aldrich

Methyl 5,5-dimethoxyvalerate

96%

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About This Item

Linear Formula:
(CH3O)2CH(CH2)3CO2CH3
CAS Number:
23068-91-9
Molecular Weight:
176.21
MDL number:
MFCD00192288
UNSPSC Code:
12352100
PubChem Substance ID:
24865333
NACRES:
NA.22

Quality Level

100

Assay

96%

form

liquid

refractive index

n20/D 1.422 (lit.)

bp

70-72 °C/2 mmHg (lit.)

density

1.012 g/mL at 25 °C (lit.)

functional group

acetal
ester
ether

SMILES string

COC(CCCC(=O)OC)OC

InChI

1S/C8H16O4/c1-10-7(9)5-4-6-8(11-2)12-3/h8H,4-6H2,1-3H3

InChI key

YOFAONQHOIRLCQ-UHFFFAOYSA-N

Related Categories

General description

Methyl 5,5-dimethoxyvalerate (methyl 5,5-dimethoxypentanoate) is an ester. It can be prepared by reacting methyl 5-oxopentanoate with p-toluene sulfonic acid and trimethylorthoformate. It participates in the synthesis of 1-palmitoyl-2-(5-oxovaleroyl)-sn-glycero-3-phosphatidylcholine.

Application

Methyl 5,5-dimethoxyvalerate may be employed in the synthesis of seven-membered carbocycles. It may be used in the synthesis of 5-(phenylamino)-4-(phenylimino)methyl)-4-pentenoic acid derivatives.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

145.4 °F - closed cup

Flash Point(C)

63 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 2 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

405817-1G:
405817-5G:
405817-BULK:
405817-VAR:

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Certificates of Analysis (COA)

Lot/Batch Number
MKBV4825V
MKBG3681V
MKBB3296
00221EJ
11829MH

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Sanjay Srivastava et al.
The Journal of biological chemistry, 279(51), 53395-53406 (2004-10-07)
Oxidation of unsaturated phospholipids results in the generation of aldehyde side chains that remain esterified to the phospholipid backbone. Such "core" aldehydes elicit immune responses and promote inflammation. However, the biochemical mechanisms by which phospholipid aldehydes are metabolized or detoxified
Fangwei Shao et al.
Bioconjugate chemistry, 19(12), 2487-2491 (2008-12-05)
A facile synthetic route to prepare monofunctional carbocyanine dyes for biological application is developed. Three pentamethine carbocyanine dyes have been successfully modified with a variety of functional groups such as: carboxylic acids, azides, or alkynes. The new dyes are characterized
Formation of seven-membered carbocycles by the use of cyclopropyl silyl ethers as homoenols.
Oleg L Epstein et al.
Angewandte Chemie (International ed. in English), 45(30), 4988-4991 (2006-07-05)

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