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Safety Information

232548

Sigma-Aldrich

3-Ethoxymethacrolein

96%

Synonym(s):

3-Ethoxy-2-methylpropenal

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About This Item

Linear Formula:
C2H5OCH=C(CH3)CHO
CAS Number:
42588-57-8
Molecular Weight:
114.14
EC Number:
255-899-4
MDL number:
MFCD00006975
UNSPSC Code:
12352100
PubChem Substance ID:
24853909
NACRES:
NA.22

Quality Level

100

Assay

96%

form

liquid

refractive index

n20/D 1.4792 (lit.)

bp

78-81 °C/14 mmHg (lit.)

density

0.96 g/mL at 25 °C (lit.)

functional group

aldehyde
ether

storage temp.

2-8°C

SMILES string

CCOC=C(C)C=O

InChI

1S/C6H10O2/c1-3-8-5-6(2)4-7/h4-5H,3H2,1-2H3

InChI key

KDOAHVPFGIYCEU-UHFFFAOYSA-N

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Application

3-Ethoxymethacrolein was used in the synthesis of:
  • 5,10-dideaza-5,6,7,8-tetrahydrofolic acid (DDATHF)
  • quinolines via modified Friedlander synthesis
  • 3-[2-isopropyl-5-methylcyclohexyloxy-(1R, 2S, 5R)]-2-methyl-2E-propenal

Pictograms

FlameExclamation mark
GHS02,GHS07

Signal Word

Warning

Hazard Statements

H226,H302 + H312 + H332

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Flam. Liq. 3

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

95.9 °F - closed cup

Flash Point(C)

35.5 °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

232548-1G:
232548-VAR:
232548-BULK:
232548-10G:

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Certificates of Analysis (COA)

Lot/Batch Number
MKCD9268
MKBZ3591V
00101DE
09103BE
15111AE

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Synthesis of quinolines via ortho-lithiated N-acylanilines. A modified Friedlaender synthesis.
Cho IS, et al.
The Journal of Organic Chemistry, 56(26), 7288-7291 (1991)
E C Taylor et al.
Investigational new drugs, 14(3), 281-285 (1996-01-01)
A new and extremely efficient synthesis of DDATHF from 4-vinylbenzoic acid and bromomalondialdehyde as precursors has been developed which proceeds in 48% overall yield.
Photooxygenation of chiral dienol ethers: asymmetric synthesis of alkoxydioxines.
Dussault PH, et al.
Tetrahedron, 55(38), 11437-11454 (1999)

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