Basic information
- CAS
1852-16-0- Standard SMILES
C=CC(=O)NCOCCCC- InChIKey
UTSYWKJYFPPRAP-UHFFFAOYSA-N- Molecular formula
- C8H15NO2
- Average molar mass
- 157.21 g/mol
- Monoisotopic mass
- 157.11027872
Names & identifiers
- Preferred name
- N-(Butoxymethyl)acrylamide
- IUPAC
- N-(butoxymethyl)prop-2-enamide
- English name
- N-(ISOBUTOXYMETHYL)ACRYLAMIDE
- Molecular formula
- C8H15NO2
- Molecular weight
- 157.21
Names & synonyms
Show more names
Database identifiers
- CAS
1852-16-0- PubChem CID
- 15817
- DTXSID
DTXSID9027443- ChEMBL
CHEMBL3187607- UNII
- Z89G4O958A
- EC Number
- 217-442-7
- Nikkaji
- J55.122H
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 123
Experimental & physicochemical properties
Physicochemical properties
- Melting point
- -9 · -9-6 °C
- Boiling point
- 108 °C · 108 °C(lit.)
- Density
- 0.96 g/mL · 0.96 g/mL at 25 °C(lit.)
- vapor pressure
- 0.212 Pa · 0.212Pa at 20℃
- refractive index
- 20 · n20/D 1.461(lit.)
- Flash point
- 175 °F · 175 °F
- pka
- 13.35 · 13.35±0.46(Predicted)
- form
- Liquid
- Specific Gravity
- 0.96 · 0.960
- color
- Clear colorless
- Water Solubility
- 35.2 g/L · 35.2g/L at 20℃
- LogP
- 1.182 at · 1.182 at 20℃
- CAS DataBase Reference
- 1852 · 1852-16-0(CAS DataBase Reference)
- FDA UNII
- 89 G4O958A · Z89G4O958A
- EPA Substance Registry System
- 2 · 2-Propenamide, N-(butoxymethyl)- (1852-16-0)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 227 · H227-H302
- Precautionary statements
- 210 · P210-P264-P270-P280-P301+P312+P330-P370+P378-P403+P235-P501
- Hazard Codes
- Xn,T
- Risk Statements
- 21 · 21/22-63-36/37/38-23/24/25-46-45
- Safety Statements
- 23 · 23-24/25-45-36/37/39-26-53
- RIDADR
- 2810 · UN 2810 6.1/PG 3
- WGK Germany
- 3 · 3
- RTECS
- 3630000 · AS3630000
- TSCA
- TSCA listed
- HS Code
- 2924.19 · 2924.19.8000
- Hazardous Substances Data
- 1852 · 1852-16-0(Hazardous Substances Data)
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
Danger
H301 (27.3%): Toxic if swallowed [Danger Acute toxicity, oral];H302 (72.7%): Harmful if swallowed [Warning Acute toxicity, oral];H311 (28.1%): Toxic in contact with skin [Danger Acute toxicity, dermal];H312 (64%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (40.3%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (40.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H331 (27.3%): Toxic if inhaled [Danger Acute toxicity, inhalation];H332 (15.8%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (40.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H350 (30.2%): May cause cancer [Danger Carcinogenicity];H361 (30.2%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]
P203, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P318, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 139 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;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: 2-Propenamide, N-(butoxymethyl)-
2-Propenamide, N-(butoxymethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Propenamide, N-(butoxymethyl)- 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: 09-05-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/20691
2-Propenamide, N-(butoxymethyl)-: 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.
Hazards Summary
Oral LD50 (rat) = 1030 mg/kg; [ChemIDplus] Hazardous polymerization may occur; A skin, eye, and respiratory tract irritant; Readily absorbed through skin; In high-dose animal studies, targets CNS, liver, lungs, eyes, kidneys, and male reproductive system; [MSDSonline]
Hazard Classes and Categories
Acute Tox. 3 (27.3%);Acute Tox. 4 (72.7%);Acute Tox. 3 (28.1%);Acute Tox. 4 (64%);Skin Irrit. 2 (40.3%);Eye Irrit. 2 (40.3%);Acute Tox. 3 (27.3%);Acute Tox. 4 (15.8%);STOT SE 3 (40.3%);Carc. 1B (30.2%);Repr. 2 (30.2%)
Flammable liquids - Category 4;Acute toxicity (Oral) - Category 4;Acute toxicity (Dermal) - Category 3;Serious eye damage/eye irritation - Category 2B;Specific target organ toxicity - Single exposure - Category 1 (systemic toxicity)
Toxicology
Regulatory information
Regulatory Information
Chemical: 2-Propenamide, N-(butoxymethyl)-
2-Propenamide, N-(butoxymethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Propenamide, N-(butoxymethyl)- 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: 09-05-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/20691
2-Propenamide, N-(butoxymethyl)-: 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.
Safety data
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- AS3630000
- ridadr
- UN 2810 6.1/PG 3
- hs_code
- 2924.19.8000
- risk_code
- 21/22-63-36/37/38-23/24/25-46-45
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,T
- safety_code
- 23-24/25-45-36/37/39-26-53
- Hazard statements
- H227-H302
- REACH Registrations
- Active
- Precautionary statements
- P210-P264-P270-P280-P301+P312+P330-P370+P378-P403+P235-P501
- Hazardous Substances Data
- 1852-16-0(Hazardous Substances Data)
Chemistry & industry
Uses & manufacturing
General Manufacturing Information
Petrochemical Manufacturing;Plastics Material and Resin Manufacturing
2-Propenamide, N-(butoxymethyl)-: ACTIVE
Suppliers94 total
Related reactions
Compound notes
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