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Merck

D138606

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
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24893422
EC Number:
208-782-7
Beilstein/REAXYS Number:
1720305
MDL number:
MFCD00004366
Assay:
97%
Form:
solid

Key Documents

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InChI

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

InChI key

YYPNJNDODFVZLE-UHFFFAOYSA-N

SMILES string

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

assay

97%

form

solid

bp

194-195 °C (lit.)

Quality Level

200

mp

65-70 °C (lit.)

Related Categories

pictograms

CorrosionExclamation mark
GHS05,GHS07

signalword

Danger

Hazard Classifications

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

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk

WGK 1

flash_point_f

200.1 °F - closed cup

flash_point_c

93.4 °C - closed cup

ppe

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.

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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