Basic information
- CAS
45115-34-2- Standard SMILES
C=COC(=O)C(C)(C)CCCCCC- InChIKey
ZHXNRJQVYHYIMK-UHFFFAOYSA-N- Molecular formula
- C12H22O2
- Average molar mass
- 198.3 g/mol
- Monoisotopic mass
- 198.16197994
Overview
Vinyl neodecanoate is a colorless liquid with a pleasant odor. Floats on water. (USCG, 1999)
Names & identifiers
- Preferred name
- Vinyl neodecanoate
- IUPAC
- ethenyl 2,2-dimethyloctanoate
- English name
- VINYL NEODECANOATE
- Molecular formula
- C12H22O2
- Molecular weight
- 198.3
Names & synonyms
Neodecanoic acid, vinyl ester9NDY01YYPTEXXAR NEO 10VV 10 VINYL MONOMEREINECS 256-905-8EC 256-905-8DTXSID8029369RefChem:901925256-905-851000-52-3NEODECANOIC ACID, ETHENYL ESTERVINYL NEODECANOATE
Show more names
NEODECANOIC ACID-ETHENYL ESTER
ethenyl 2,2-dimethyloctanoate45115-34-2vinyl 2,2-dimethyloctanoateVinyl neodecanateOctanoic acid, 2,2-dimethyl-, ethenyl esterVINYL NEODECANOATE (INHIBITED WITH 5 PPM HYDROQUINONE)UNII-9NDY01YYPTSCHEMBL35755
Database identifiers
- CAS
45115-34-2、51000-52-3- PubChem CID
- 65294
- DTXSID
DTXSID60196392- UNII
- 9NDY01YYPT
- EC Number
- 256-905-8、610-226-7
- Nikkaji
- J248.965A
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 183
Experimental & physicochemical properties
Flash Pointgreater than 175 °F (USCG, 1999)
Melting Point-4 °F (USCG, 1999)
Food Contact Substances
FCS -> FDA Cumulative Estimated Daily Intake (CEDI)
FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications
Physical Description
Vinyl neodecanoate is a colorless liquid with a pleasant odor. Floats on water. (USCG, 1999)
Liquid
Autoignition Temperature588 °F (USCG, 1999)
Physicochemical properties
- Boiling point
- 60 · 60-216 °C(lit.)
- Density
- 0.882 g/mL · 0.882 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.436(lit.)
- Flash point
- 182 °F · 182 °F
- FDA UNII
- 9 NDY01YYPT · 9NDY01YYPT
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
This chemical does not meet GHS hazard criteria for 29.5% (72 of 244) of reports.
Warning
H400 (65.2%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 244 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
Hazard information
Regulatory Information
Chemical: Neodecanoic acid, ethenyl ester
Hazard Traits - Bioaccumulation; Environmental Persistence
Neodecanoic acid, ethenyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Neodecanoic acid, ethenyl 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)
REACH registered substance: Vinyl neodecanoate (EC: 256-905-8)
Neodecanoic acid, ethenyl ester: Does not have an individual approval but may be used under an appropriate group standard
DOT LabelClass 9
Fire HazardsExcerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]:
Health HazardsExcerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]:
Reactive GroupEsters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters
Reactivity Alerts
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 8,500,000 - <25,000,000 lb
Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesMonomers
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Neodecanoic acid, ethenyl ester: ACTIVE
Applications
UsesVinyl Neodecanoate is used in manufacturing environmental protection toilet.
Suppliers100 total
上海利卡斯实业有限公司19821976800 · [email protected]
江西益众化工有限公司15307925109 15350027073 · [email protected]
河南萨克斯生物科技有限公司13803717460 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
南通润丰石油化工有限公司66017690 19952660367 · [email protected]
广州纳珑化工有限公司13192879270; 13192879270 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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