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Neopentyl glycol dimethacrylate

HCID 16135
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Basic information

CAS
1985-51-9
Standard SMILES
C=C(C)C(=O)OCC(C)(C)COC(=O)C(=C)C
InChIKey
ULQMPOIOSDXIGC-UHFFFAOYSA-N
Molecular formula
C13H20O4
Average molar mass
240.29 g/mol
Monoisotopic mass
240.13615911

Names & identifiers

Preferred name
Neopentyl glycol dimethacrylate
IUPAC
[2,2-dimethyl-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate
English name
Neopentyl glycol dimethacrylate
Molecular formula
C13H20O4
Molecular weight
240.3

Names & synonyms

1985-51-9Neopentyl glycol dimethacrylateNeopentanediol dimethacrylate2,2-Dimethylpropane dimethacrylateEINECS 217-856-8CCRIS 7048DTXSID5044867DTXCID3024867LIGHT ESTER NP4NGO96034H2,2-Dimethyl-1,3-propanediyl bismethacrylate2,2-Dimethylpropane-1,3-diyl bis(2-methylprop-2-enoate)
Show more names
NPGDMA2,2-dimethylpropane-1,1-diolNEOPENTANEDIOLDIMETHACRYLATENeopentyl glycol diMethacrylaNEPPENHYLGLYCOL DIMETHACRYLATE2,2-DimethylpropanedimethacrylateDimethacrylate of neopentyl glycol2,2-Dimethylpropanediol dimethacryl
2-Propenoic acid, 2-methyl-, 2,2-dimethyl-1,3-propanediyl ester2,2-Dimethyl-1,3-propanediol Dimethacrylate2-Propenoic acid, 2-methyl-, 1,1'-(2,2-dimethyl-1,3-propanediyl) ester1,3-PROPANEDIOL, 2,2-DIMETHYL-, DIMETHACRYLATEMETHACRYLIC ACID, 2,2-DIMETHYLTRIMETHYLENE ESTER.ALPHA.,.OMEGA.-BIS(METHACRYLOYLOXY)-2,2-DIMETHYLPROPYLENERefChem:832331NEOPENTYL GLYCOL DIMETHACRYLATE [INCI]

Database identifiers

CAS
1985-51-9
PubChem CID
16135
DTXSID
DTXSID5044867
UNII
4NGO96034H
EC Number
217-856-8
Nikkaji
J199.801C

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
52.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
8
Heavy atoms
17
Formal charge
0
Complexity
307

Experimental & physicochemical properties

SpringerMaterials PropertiesViscosity
LogP2.79
Physical DescriptionLiquid

Physicochemical properties

Melting point
5 °C · 5°C
Boiling point
87 °C0.6 · 87 °C0.6 mm Hg(lit.)
Density
1.003 g/mL · 1.003 g/mL at 25 °C(lit.)
refractive index
20 · n20/D 1.453(lit.)
Flash point
230 °F · >230 °F
storage temp.
2 · Storage temp. 2-8°C
form
clear liquid
color
Colorless to Almost colorless
Viscosity
6.5 cp · 6.5cp (20C)
Cosmetics Ingredients Functions
NAIL CONDITIONING

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 58 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 3 items

Chemical: 2-Propenoic acid, 2-methyl-, 2,2-dimethyl-1,3-propanediyl ester

2-Propenoic acid, 2-methyl-, 1,1'-(2,2-dimethyl-1,3-propanediyl) ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Propenoic acid, 2-methyl-, 1,1'-(2,2-dimethyl-1,3-propanediyl) ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

2-Propenoic acid, 2-methyl-, 2,2-dimethyl-1,3-propanediyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

wgk
3
tsca
TSCA listed
ridadr
2810
hs_code
2917.19.7050
risk_code
43
Signal word
Warning
Symbol(GHS)

Chemistry & industry

Uses & manufacturing

U.S. Production2023: <75,000 lb
Consumer UsesMonomers
Industry UsesPhotosensitive chemicals
General Manufacturing Information · 2 items

Custom Compounding of Purchased Resins

2-Propenoic acid, 2-methyl-, 1,1'-(2,2-dimethyl-1,3-propanediyl) ester: ACTIVE

Applications · 1 item

DescriptionNeopentyl glycol dimethacrylate is a kind of functional methyl acrylic ester, can be used as peroxyde crosslinked additional crosslinker, is applicable to the elastomeric vulcanization system of sulfur vulcanization difficulty. There is a shortening crosslinking time, improving features such as vulcanized rubber. Also, it can be used as a properties-correcting agent, applicable to the radiation crosslinking of PVC electric wire and photosensitive resin, tackiness agent, coating, porous plastics, etc.

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
InChI
InChI=1S/C13H20O4/c1-9(2)11(14)16-7-13(5,6)8-17-12(15)10(3)4/h1,3,7-8H2,2,4-6H3
InChIKey
ULQMPOIOSDXIGC-UHFFFAOYSA-N
SMILES
C(OC(=O)C(C)=C)C(C)(C)COC(=O)C(C)=C
LogP
2.79 · 2.790
CAS DataBase Reference
1985 · 1985-51-9(CAS DataBase Reference)
FDA UNII
4 NGO96034H · 4NGO96034H
EPA Substance Registry System
Neopentyl glycol dimethacrylate (1985-51-9)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
315 · H315-H319
Precautionary statements
264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Hazard Codes
Xi
Risk Statements
43 · 43
Safety Statements
36 · 36/37
RIDADR
2810 · 2810
WGK Germany
3 · 3
TSCA
TSCA listed
HS Code
2917.19 · 2917.19.7050
HazardClass
6.1 · 6.1(b)
PackingGroup
III
GHS07
hazard_code
Xi
safety_code
36/37
hazard_class
6.1(b)
packing_group
III
Hazard statements
H315-H319
Precautionary statements
P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313