Basic information
- CAS
2235-00-9- Standard SMILES
C=CN1CCCCCC1=O- InChIKey
JWYVGKFDLWWQJX-UHFFFAOYSA-N- Molecular formula
- C8H13NO
- Average molar mass
- 139.19 g/mol
- Monoisotopic mass
- 139.09971404
Names & identifiers
- Preferred name
- N-Vinylcaprolactam
- IUPAC
- 1-ethenylazepan-2-one
- English name
- POLYVINYLCAPROLACTAM
- Molecular formula
- C8H13NO
- Molecular weight
- 139.2
Names & synonyms
Show more names
Database identifiers
- CAS
2235-00-9、25189-83-7- PubChem CID
- 75227
- DTXSID
DTXSID1041423- ChEMBL
CHEMBL3188330- UNII
- KFC10CY9UP
- EC Number
- 218-787-6
- Nikkaji
- J213.131E
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 142
Experimental & physicochemical properties
Physical Description
Other Solid; CBI; Liquid
Off-white solid; [Sigma-Aldrich MSDS]
Physicochemical properties
- Cosmetics Ingredients Functions
- FILM FORMINGHAIR FIXING
- EWG's Food Scores
- 1 · 1
- EPA Substance Registry System
- 2 H-Azepin-2-one, · 2H-Azepin-2-one, 1-ethenylhexahydro-, homopolymer (25189-83-7)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
- TSCA
- TSCA listed
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 2.3% (9 of 387) of reports.
Danger
H302 (96.1%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (65.6%): Harmful in contact with skin [Warning Acute toxicity, dermal];H317 (79.6%): May cause an allergic skin reaction [Warning Sensitization, Skin];H319 (90.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (11.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H372 (70%): Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure]
P260, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 387 reports by companies from 31 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 9 of 387 reports by companies.;There are 30 notifications provided by 378 of 387 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Regulatory Information
Chemical: 2H-Azepin-2-one, 1-ethenylhexahydro-
2H-Azepin-2-one, 1-ethenylhexahydro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2H-Azepin-2-one, 1-ethenylhexahydro- 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)
Status: Active Update: 21-01-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/13517
Vinyl caprolactam: Does not have an individual approval but may be used under an appropriate group standard
Toxicology
Adverse Effects
Occupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.;Skin Sensitizer - An agent that can induce an allergic reaction in the skin.
Regulatory information
Regulatory Information
Chemical: 2H-Azepin-2-one, 1-ethenylhexahydro-
2H-Azepin-2-one, 1-ethenylhexahydro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2H-Azepin-2-one, 1-ethenylhexahydro- 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)
Status: Active Update: 21-01-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/13517
Vinyl caprolactam: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- tsca
- TSCA listed
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- Hazard statements
- H318-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
Chemistry & industry
Uses & manufacturing
Uses
Used as an intermediate, in coatings, inks, and toners, as a laboratory reagent, and monomer in polymerization reactions; [ExPub: ECHA REACH Registrations]
Painting (Pigments, Binders, and Biocides) [Category: Paint]
General Manufacturing Information
Paint and Coating Manufacturing;All Other Chemical Product and Preparation Manufacturing;All Other Basic Organic Chemical Manufacturing
2H-Azepin-2-one, 1-ethenylhexahydro-: ACTIVE
Suppliers100 total
Related reactions
Compound notes
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