Glycol Dimethacrylate

Details

• Internal ID: 5df3b1e0-8d7b-41c2-b038-a000c43638c6
• Taxonomy: Organic acids and derivatives > Carboxylic acids and derivatives > Dicarboxylic acids and derivatives
• IUPAC Name: 2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
• SMILES (Canonical): CC(=C)C(=O)OCCOC(=O)C(=C)C
• SMILES (Isomeric): CC(=C)C(=O)OCCOC(=O)C(=C)C
• InChI: InChI=1S/C10H14O4/c1-7(2)9(11)13-5-6-14-10(12)8(3)4/h1,3,5-6H2,2,4H3
• InChI Key: STVZJERGLQHEKB-UHFFFAOYSA-N
• Popularity: 3,676 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₀H₁₄O₄
• Molecular Weight: 198.22 g/mol
• Exact Mass: 198.08920892 g/mol
• Topological Polar Surface Area (TPSA): 52.60 Ų
• XlogP: 1.90
• Atomic LogP (AlogP): 1.22
• H-Bond Acceptor: 4
• H-Bond Donor: 0
• Rotatable Bonds: 5

Synonyms

• 97-90-5
• Ethylene dimethacrylate
• Glycol dimethacrylate
• Diglycol dimethacrylate
• Ethanediol dimethacrylate
• Ethylenedimethyacrylate
• ETHYLENE METHACRYLATE
• Ethyldiol metacrylate
• 1,2-Bis(methacryloyloxy)ethane
• ethane-1,2-diyl bis(2-methylacrylate)
• EGDMA
• Sartomer SR 206
• Ageflex EGDM
• Methacrylic acid, ethylene ester
• Ethylene glycol bis(methacrylate)
• Ethyldiol methacrylate
• Methacrylic acid ethylene ester
• 1,2-Ethanediol dimethacrylate
• 25852-47-5
• SR 206
• 2-Propenoic acid, 2-methyl-, 1,2-ethanediyl ester
• CCRIS 179
• NSC 24166
• 1,2-Ethanediyl 2-methyl-2-propenoate
• CHEBI:53436
• HSDB 5313
• EINECS 202-617-2
• BRN 1776663
• DTXSID1026615
• UNII-7BK5G69305
• 2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
• NSC-24166
• 25721-76-0
• 7BK5G69305
• 2-(Methacryloyloxy)ethyl 2-methylacrylate
• DTXCID106615
• EC 202-617-2
• 2-methyl-2-propenoic acid 1,2-ethanediyl ester
• NSC24166
• 12738-39-5
• 2-[(2-methylprop-2-enoyl)oxy]ethyl 2-methylprop-2-enoate
• 2-Propenoic acid, 2-methyl-, 1,1'-(1,2-ethanediyl) ester
• PORAPAK T (80-100 MESH ASTM) FOR GC
• ethyleneglycol dimethacrylate
• CAS-97-90-5
• Ethylene glycol dimethacrylate,99%(egdma)
• Ageflex EGDMA
• Perkalink 401
• NK Ester 1G
• PEG-DMA
• Epitope ID:131323
• PEG200DMA
• TGM 1
• SCHEMBL15636
• Ethylene Glycol Di Methacrylate
• 1,2-Bis(methacryloyoxy) ethane
• CHEMBL1709582
• CHEBI:53378
• MFM-416
• 1,2-bis-(methacryloyloxy)-ethane
• ETHYLENE METHACRYLATE [HSDB]
• GLYCOL DIMETHACRYLATE [INCI]
• Tox21_201914
• Tox21_303153
• (C10-H14-O4)x-
• MFCD00008590
• (C2-H4-O)mult-C8-H10-O3
• AKOS015837657
• CS-W015656
• NCGC00163970-01
• NCGC00163970-02
• NCGC00163970-03
• NCGC00257144-01
• NCGC00259463-01
• AS-78075
• LS-89927
• 2-(Methacryloyloxy)ethyl 2-methylacrylate #
• E0102
• FT-0688078
• D70270
• F71209
• A845762
• Benzenepropanoic acid, 2,5-dimethoxy-.alpha.-oxo-
• Ethylene Glycol Dimethacrylate (stabilized with HQ)
• Q2231462
• W-100100
• 1,2-Ethanediol dimethacrylate Ethylene dimethacrylate
• Ethylene Glycol Dimethacrylate, (stabilized with HQ)
• 2-propenoic acid, 2-methyl-, 1,2-ethanediyl ester (9Cl)
• 2-Propenoic acid,2-methyl-,1,1'-(1,2-ethanediyl)ester
• 2-(dimethylamino)ethyl (2,5-dioxo-4,4-diphenyl-imidazolidin-1-yl)methyl carbonate; methanesulfonic acid
• Ethylene glycol dimethacrylate, 98%, contains 90-110 ppm monomethyl ether hydroquinone as inhibitor

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
Human Intestinal Absorption	+	0.9148	91.48%
Caco-2	+	0.7126	71.26%
Blood Brain Barrier	+	0.7250	72.50%
Human oral bioavailability	+	0.5571	55.71%
Subcellular localzation	Mitochondria	0.7921	79.21%
OATP2B1 inhibitior	-	0.8537	85.37%
OATP1B1 inhibitior	+	0.9670	96.70%
OATP1B3 inhibitior	+	0.9489	94.89%
MATE1 inhibitior	-	0.8600	86.00%
OCT2 inhibitior	-	0.8750	87.50%
BSEP inhibitior	-	0.9252	92.52%
P-glycoprotein inhibitior	-	0.9437	94.37%
P-glycoprotein substrate	-	0.9733	97.33%
CYP3A4 substrate	-	0.6286	62.86%
CYP2C9 substrate	-	1.0000	100.00%
CYP2D6 substrate	-	0.8680	86.80%
CYP3A4 inhibition	-	0.8445	84.45%
CYP2C9 inhibition	-	0.8564	85.64%
CYP2C19 inhibition	-	0.8458	84.58%
CYP2D6 inhibition	-	0.9111	91.11%
CYP1A2 inhibition	-	0.8495	84.95%
CYP2C8 inhibition	-	0.9577	95.77%
CYP inhibitory promiscuity	-	0.8030	80.30%
UGT catelyzed	-	0.0000	0.00%
Carcinogenicity (binary)	-	0.6166	61.66%
Carcinogenicity (trinary)	Non-required	0.6539	65.39%
Eye corrosion	+	0.7603	76.03%
Eye irritation	+	0.9742	97.42%
Skin irritation	+	0.8408	84.08%
Skin corrosion	-	0.9276	92.76%
Ames mutagenesis	-	0.9700	97.00%
Human Ether-a-go-go-Related Gene inhibition	-	0.6220	62.20%
Micronuclear	-	0.9700	97.00%
Hepatotoxicity	-	0.5000	50.00%
skin sensitisation	+	0.9333	93.33%
Respiratory toxicity	-	0.8111	81.11%
Reproductive toxicity	-	0.9111	91.11%
Mitochondrial toxicity	-	0.7750	77.50%
Nephrotoxicity	+	0.6762	67.62%
Acute Oral Toxicity (c)	III	0.8075	80.75%
Estrogen receptor binding	-	0.6895	68.95%
Androgen receptor binding	-	0.8665	86.65%
Thyroid receptor binding	-	0.6140	61.40%
Glucocorticoid receptor binding	-	0.8599	85.99%
Aromatase binding	-	0.7746	77.46%
PPAR gamma	-	0.6554	65.54%
Honey bee toxicity	-	0.8632	86.32%
Biodegradation	+	0.7250	72.50%
Crustacea aquatic toxicity	-	0.8800	88.00%
Fish aquatic toxicity	+	0.8643	86.43%

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	95.05%	96.09%
CHEMBL4040	P28482	MAP kinase ERK2	91.64%	83.82%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	84.06%	91.11%
CHEMBL255	P29275	Adenosine A2b receptor	82.95%	98.59%
CHEMBL2581	P07339	Cathepsin D	82.44%	98.95%
CHEMBL2111367	P27986	PI3-kinase p110-alpha/p85-alpha	81.07%	94.33%
CHEMBL253	P34972	Cannabinoid CB2 receptor	80.61%	97.25%

Plants that contains it

• Bletilla striata

Cross-Links

• PubChem: 7355
• NPASS: NPC159773
• LOTUS: LTS0019260
• wikiData: Q2231462