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Safety Information

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

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.

JAN Code

D138606-BULK:
D138606-100G:
D138606-5G:
D138606-VAR:
D138606-250G:
D138606-500G:
D138606-10KG:
D138606-1KG:

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Certificates of Analysis (COA)

Lot/Batch Number
WXBD2107V
WXBD5881V
WXBD5039V
WXBD0279V
STBH7769

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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)
Shogo Inamine et al.
Bioorganic & medicinal chemistry, 22(21), 5902-5909 (2014-10-07)
IsoVa-RYYRIK-NH2 is a highly specific antagonist ligand of the opioid receptor-like 1 (ORL1) receptor, an endogenous ligand of which is 17-mer peptide nociceptin. ORL1 antagonists have potential for clinical use as analgesic and antineuropathic drugs, and thus information on the
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
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
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
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Global Trade Item Number

SKUGTIN
D138606-500G4061832489902
D138606-5G
D138606-100G4061833559734

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