N-(Isobutoxymethyl)acrylamide

HCID 27979

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Basic information

CAS: 16669-59-3
Standard SMILES: C=CC(=O)NCOCC(C)C
InChIKey: KCTMTGOHHMRJHZ-UHFFFAOYSA-N
Molecular formula: C8H15NO2
Average molar mass: 157.21 g/mol
Monoisotopic mass: 157.11027872

Names & identifiers

Preferred name: N-(Isobutoxymethyl)acrylamide
IUPAC: N-(2-methylpropoxymethyl)prop-2-enamide
English name: N-(ISOBUTOXYMETHYL)ACRYLAMIDE
Molecular formula: C8H15NO2
Molecular weight: 157.21

Names & synonyms

N-(Isobutoxymethyl)acrylamide16669-59-3Synocure 3165N-IsobutoxymethylacrylamideDTXSID2044848UNII-2X6C59HDPEEINECS 240-715-72X6C59HDPE2-Propenamide, N-((2-methylpropoxy)methyl)-2-Propenamide, N-[(2-methylpropoxy)methyl]-N-((2-Methylpropoxy)methyl)acrylamideACRYLAMIDE, N-(ISOBUTOXYMETHYL)-

Show more names

NIBMAsynocure3165n-[(2-methylpropoxy)misobutoxymethylacrylamideN-(Isobutyloxy) acrylaMiden-(isobutoxymethyl)-acrylamidN-IBMA (ISOBUTOXY METHACRYLAMIDE)N-[(Isobutyloxy)methyl]acrylamide

CYLINK IBMAWASMER IBMN-((2-Methylpropoxy)methyl)-2-propenamideDTXCID0024848N-[(2-Methylpropoxy)methyl]acrylamideN-[(2-Methylpropoxy)methyl]-2-propenamideRefChem:162386N-(2-methylpropoxymethyl)prop-2-enamide

Database identifiers

CAS: 16669-59-3
PubChem CID: 27979
DTXSID: DTXSID2044848
ChEMBL: CHEMBL3187434
UNII: 2X6C59HDPE
EC Number: 240-715-7
Nikkaji: J66.960A

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 38.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 5
Heavy atoms: 11
Formal charge: 0
Complexity: 132

Experimental & physicochemical properties

Physical DescriptionLiquid

Physicochemical properties

Boiling point: 108 °C · 108 °C(lit.)
Density: 0.97 g/mL · 0.97 g/mL at 25 °C(lit.)
vapor pressure: 0.159 Pa · 0.159Pa at 25℃
refractive index: 20 · n20/D 1.461(lit.)
Flash point: 175 °F · 175 °F
pka: 13.29 · 13.29±0.46(Predicted)
form: clear liquid
color: Colorless to Almost colorless
Specific Gravity: 0.981 · 0.981
Water Solubility: 13.45 g/L · 13.45g/L at 25℃
InChI: InChI=1S/C8H15NO2/c1-4-8(10)9-6-11-5-7(2)3/h4,7H,1,5-6H2,2-3H3,(H,9,10)
InChIKey: KCTMTGOHHMRJHZ-UHFFFAOYSA-N
SMILES: N(C(=O)C=C)COCC(C)C
LogP: 0.84 at · 0.84 at 25℃
CAS DataBase Reference: 16669 · 16669-59-3
FDA UNII: 2 X6C59HDPE · 2X6C59HDPE
EPA Substance Registry System: 2 · 2-Propenamide, N-[(2-methylpropoxy)methyl]- (16669-59-3)
UNSPSC Code: 12162002 · 12162002
NACRES: 23 · NA.23
Symbol(GHS): 5 · GHS05,GHS07,GHS08
Signal word: Danger
Hazard statements: 302 · H302+H312-H315-H317-H318-H340-H350-H361-H373
Precautionary statements: 202 · P202-P280-P301+P312-P302+P352+P312-P305+P351+P338-P308+P313
target organs: Peripheral nervous system
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xn,T
Risk Statements: 21 · 21/22-62-48/20/21/22-43-36-46-45
Safety Statements: 23 · 23-24/25-45-36/37-26-53
RIDADR: 2810 · UN 2810 6.1/PG 3
WGK Germany: 3 · 3
RTECS: 3630000 · AS3630000
TSCA: TSCA listed
Storage Class: 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: 4 DermalAcute · Acute Tox. 4 DermalAcute Tox. 4 OralCarc. 1BEye Dam. 1Muta. 1BRepr. 2Skin Irrit. 2Skin Sens. 1STOT RE 2STOT RE 2 Oral
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 5.7% (7 of 122) of reports.

Warning

H302 (94.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P280, P301+P317, P302+P352, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 122 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 4 items

Chemical: 2-Propenamide, N-[(2-methylpropoxy)methyl]-

2-Propenamide, N-[(2-methylpropoxy)methyl]- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Propenamide, N-[(2-methylpropoxy)methyl]- 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: N-[(2-methylpropoxy)methyl]acrylamide (EC: 240-715-7)

2-Propenamide, N-(2-methylpropoxy)methyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (94.3%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
rtecs: AS3630000
ridadr: UN 2810 6.1/PG 3
risk_code: 21/22-62-48/20/21/22-43-36-46-45
Signal word: Danger
Symbol(GHS): GHS05,GHS07,GHS08
hazard_code: Xn,T
safety_code: 23-24/25-45-36/37-26-53
Storage Class: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
target organs: Peripheral nervous system
Hazard statements: H302+H312-H315-H317-H318-H340-H350-H361-H373
REACH Registrations: Active
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 OralCarc. 1BEye Dam. 1Muta. 1BRepr. 2Skin Irrit. 2Skin Sens. 1STOT RE 2STOT RE 2 Oral
Precautionary statements: P202-P280-P301+P312-P302+P352+P312-P305+P351+P338-P308+P313

Chemistry & industry

Uses & manufacturing

U.S. Production2023: <50,000 lb

Industry UsesOther

General Manufacturing Information · 2 items

Plastics Material and Resin Manufacturing

2-Propenamide, N-[(2-methylpropoxy)methyl]-: ACTIVE

Suppliers78 total

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

湖北万得化工有限公司15377098680 15377098680 · [email protected]

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]

广州纳珑化工有限公司13192879270; 13192879270 · [email protected]

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Compound notes

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