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D138606

Sigma-Aldrich

3,3-Dimethylacrylic acid

97%

Synonym(s):

3-Methyl-2-butenoic acid, 3,3-Dimethylacrylic acid, 3-Methylcrotonic acid, Senecioic acid

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About This Item

Linear Formula:
(CH3)2C=CHCOOH
CAS Number:
541-47-9
Molecular Weight:
100.12
Beilstein:
1720305
EC Number:
208-782-7
MDL number:
MFCD00004366
UNSPSC Code:
12352100
PubChem Substance ID:
24893422
NACRES:
NA.22

Quality Level

200

Assay

97%

form

solid

bp

194-195 °C (lit.)

mp

65-70 °C (lit.)

SMILES string

C\C(C)=C\C(O)=O

InChI

1S/C5H8O2/c1-4(2)3-5(6)7/h3H,1-2H3,(H,6,7)

InChI key

YYPNJNDODFVZLE-UHFFFAOYSA-N

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Related Categories

Pictograms

CorrosionExclamation mark
GHS05,GHS07

Signal Word

Danger

Hazard Statements

H315,H318,H335

Hazard Classifications

Eye Dam. 1 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 1

Flash Point(F)

200.1 °F - closed cup

Flash Point(C)

93.4 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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M Duran et al.
Clinica chimica acta; international journal of clinical chemistry, 90(2), 187-193 (1978-12-01)
The organic acid excretion in a patient with 3-hydroxy-3-methylglutaryl-CoA lyase deficiency is described. In addition to 3-hydroxy-3-methylglutaric, 3-methylglutaconic, 3-methylglutaric and 3-hydroxyisovaleric acids, substantial amounts of glutaric and adipic acids were repeatedly observed. 3-Methylcrotonic acid and possibly one of its isomers
3-methyl-3-butenoic acid: an artefact in the urinary metabolic pattern of patients with 3-hydroxy-3-methylglutaryl-CoA lyase deficiency.
C Jakobs et al.
Clinica chimica acta; international journal of clinical chemistry, 106(1), 85-89 (1980-09-08)
Hirofumi Inoue et al.
Biological & pharmaceutical bulletin, 42(5), 845-849 (2019-05-08)
It has been suggested that imbalances in gut microbiota are related to diseases associated with metabolism, the central nervous system, etc. Therefore, analysis of short-chain fatty acids (SCFAs) produced by gut microbiota is very important as an indicator of causation
K Roth et al.
The Journal of pediatrics, 88(2), 229-235 (1976-02-01)
A patient is described in whom lactic acidosis of very severe degree was found to coincide with the presence of beta-methylcrotonic acid and rho-hydroxyphenyllactic acid in urine in large amounts, while beta-hydroxyisovaleric acid was found to be a relatively minor
Nareshbabu Kamatham et al.
Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 18(10), 2411-2420 (2019-07-28)
ortho-Nitrobenzyl (oNB) triggers have been extensively used to release various molecules of interest. However, the toxicity and reactivity of the spent chromophore, o-nitrosobenzaldehyde, remains an unaddressed difficulty. In this study we have applied the well-established supramolecular photochemical concepts to retain
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