Basic information
- CAS
54423-67-5- Standard SMILES
C=COC(=O)CCCCC(C)(C)C- InChIKey
GFMSTQUPERDVHQ-UHFFFAOYSA-N- Molecular formula
- C11H20O2
- Average molar mass
- 184.27 g/mol
- Monoisotopic mass
- 184.14632988
Names & identifiers
- Preferred name
- Neononanoic acid, ethenyl ester
- IUPAC
- ethenyl 6,6-dimethylheptanoate
- English name
- VINYL NEONONANOATE
- Molecular formula
- C11H20O2
- Molecular weight
- 184.28
Names & synonyms
Vinyl neononanoateNeononanoic acid, ethenyl esterEINECS 259-160-7EC 259-160-7RefChem:165318DTXCID1041718DTXSID9068954259-160-754423-67-5ethenyl 6,6-dimethylheptanoateNeononanoic acid,ethenyl esterVinyl neononanoate, mixture of isomers
Show more names
VinylneononanoaVinylneononanoatVinyl neopelanoateNEONONOICACID,VINYLESTERVinyl 6,6-dimethylheptanoateNeononanoicacid,ethenylestervinylneononanoate,mixtureofisomers
SCHEMBL2532214WBZPMFHFKXZDRZ-UHFFFAOYSA-NAKOS015916138NS00005817
Database identifiers
- CAS
54423-67-5- PubChem CID
- 94568
- EC Number
- 259-160-7
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 165
Physicochemical properties
- Boiling point
- 188 °C · 188 °C(lit.)
- Density
- 0.887 g/mL · 0.887 g/mL at 25 °C(lit.)
- vapor pressure
- 91 Pa · 91Pa at 25℃
- refractive index
- 20 · n20/D 1.441(lit.)
- Flash point
- 144 °F · 144 °F
- form
- Liquid
- Water Solubility
- 13 μg/L · 13μg/L at 25℃
- InChI
- InChI=1S/C11H20O2/c1-5-7-8-9-11(3,4)10(12)13-6-2/h6H,2,5,7-9H2,1,3-4H3
- InChIKey
- GFMSTQUPERDVHQ-UHFFFAOYSA-N
- SMILES
- C(C)(C)(CCCCC)C(=O)OC=C
- LogP
- 4.6 at · 4.6 at 20℃
- EPA Substance Registry System
- Vinyl neononanoate (54423-67-5)
- UNSPSC Code
- 12162002 · 12162002
- NACRES
- 23 · NA.23
- Signal word
- Danger
- Hazard statements
- 332 · H332-H411
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 4.5% (1 of 22) of reports.
Warning
H332 (95.5%): Harmful if inhaled [Warning Acute toxicity, inhalation]
P203, P261, P271, P273, P280, P304+P340, P317, P318, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 22 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Neononanoic acid, ethenyl ester
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
REACH registered substance: Vinyl neononanoate (EC: 259-160-7)
Neononanoic acid, ethenyl ester: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (95.5%)
Safety data
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- 3082
- risk_code
- 52
- Signal word
- Danger
- hazard_class
- 9
- Storage Class
- 10 - Combustible liquids
- packing_group
- III
- Hazard statements
- H332-H411
- REACH Registrations
- Inactive
- Precautionary statements
- P261-P271-P304+P340-P312
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationNeononanoic acid, ethenyl ester: ACTIVE
Applications
UsesVinyl neononanoate can be used as a material for the improvement of reinforced concrete, participating in the preparation of modified polymer of vinyl acetate (PVAc) method, in order to enhance the corrosion resistance of concrete. It can also be used for on-line monitoring and composition control studies of copolymerisation of vinyl neononanoate (VeoVA 9) with butyl acrylate emulsions using Raman spectroscopy[1-2].
Suppliers79 total
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
Handan Huajun chemicals Co.,Ltd+86-0310-+86-0310-8166573 +86-18630058311 · [email protected]
山东泰诚生物科技有限公司18769832557 18769832557 · [email protected]
保定秉承新材料有限公司17531190177 · [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]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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