Product Name

  • Name

    N-TERT-OCTYLACRYLAMIDE

  • EINECS 224-169-7
  • CAS No. 4223-03-4
  • Density 0.867 g/cm3
  • Solubility 1.01g/L at 20℃
  • Melting Point 63-64 °C
  • Formula C11H21NO
  • Boiling Point 289.6 °C at 760 mmHg
  • Molecular Weight 183.294
  • Flash Point 171.1 °C
  • Transport Information
  • Appearance
  • Safety 26-36/37/39
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 4223-03-4 (N-TERT-OCTYLACRYLAMIDE)
  • Hazard Symbols
  • Synonyms Acrylamide,N-(1,1,3,3-tetramethylbutyl)- (6CI,8CI);N-(1,1,3,3-Tetramethylbutyl)-2-propenamide;N-(1,1,3,3-Tetramethylbutyl)acrylamide;N-tert-Octylacrylamide;NSC 9035;N-(2,4,4-Trimethylpentan-2-yl)prop-2-enamide;Acrylamide, N-(5,5-dimethylhexyl)-;
  • PSA 29.10000
  • LogP 2.89430

Synthetic route

2,4,4-trimethyl-1-pentene
107-39-1

2,4,4-trimethyl-1-pentene

acrylonitrile
107-13-1

acrylonitrile

tertiary-octyl acrylamide
4223-03-4

tertiary-octyl acrylamide

Conditions
ConditionsYield
With sulfuric acid; acetic acid anschliessend mit Eis;
β-diethylamino-N-tert-octylpropionamide
131516-80-8

β-diethylamino-N-tert-octylpropionamide

tertiary-octyl acrylamide
4223-03-4

tertiary-octyl acrylamide

Conditions
ConditionsYield
With 4,4'-butylidenebis(6-tert-butyl-m-cresol) In ethylene glycol at 150℃; under 52.5053 Torr; for 4h; Inert atmosphere;
tertiary-octyl acrylamide
4223-03-4

tertiary-octyl acrylamide

2,3-dibromo-propionic acid-(1,1,3,3-tetramethyl-butylamide)

2,3-dibromo-propionic acid-(1,1,3,3-tetramethyl-butylamide)

Conditions
ConditionsYield
With tetrachloromethane; bromine
acrylic acid n-butyl ester
141-32-2

acrylic acid n-butyl ester

tertiary-octyl acrylamide
4223-03-4

tertiary-octyl acrylamide

acrylic acid
79-10-7

acrylic acid

2-hydroxyethyl acrylate
818-61-1

2-hydroxyethyl acrylate

poly(2-hydroxyethyl acrylate-co-acrylic acid-co-butyl acrylate-co-t-octyl acrylamide)

poly(2-hydroxyethyl acrylate-co-acrylic acid-co-butyl acrylate-co-t-octyl acrylamide)

Conditions
ConditionsYield
With 2,2'-azobis(isobutyronitrile) In ethyl acetate Product distribution / selectivity; Heating / reflux;
...Expand
acrylic acid n-butyl ester
141-32-2

acrylic acid n-butyl ester

2-hydroxypropyl acrylate
999-61-1

2-hydroxypropyl acrylate

tertiary-octyl acrylamide
4223-03-4

tertiary-octyl acrylamide

acrylic acid
79-10-7

acrylic acid

poly(2-hydroxypropyl acrylate-co-acrylic acid-co-butyl acrylate-co-t-octyl acrylamide)

poly(2-hydroxypropyl acrylate-co-acrylic acid-co-butyl acrylate-co-t-octyl acrylamide)

Conditions
ConditionsYield
With 2,2'-azobis(isobutyronitrile) Product distribution / selectivity; Heating / reflux;
...Expand
acrylic acid n-butyl ester
141-32-2

acrylic acid n-butyl ester

tertiary-octyl acrylamide
4223-03-4

tertiary-octyl acrylamide

acrylic acid
79-10-7

acrylic acid

2-hydroxyethyl acrylate
818-61-1

2-hydroxyethyl acrylate

poly(acrylic acid-co-butyl acrylate-co-2-hydroxyethyl acrylate-co-t-octyl acrylamide)

poly(acrylic acid-co-butyl acrylate-co-2-hydroxyethyl acrylate-co-t-octyl acrylamide)

Conditions
ConditionsYield
With 2,2'-azobis(isobutyronitrile) In ethyl acetate Heating / reflux;
...Expand
acrylic acid n-butyl ester
141-32-2

acrylic acid n-butyl ester

2-hydroxypropyl acrylate
999-61-1

2-hydroxypropyl acrylate

tertiary-octyl acrylamide
4223-03-4

tertiary-octyl acrylamide

acrylic acid
79-10-7

acrylic acid

poly(acrylic acid-co-butyl acrylate-co-2-hydroxypropyl acrylate-co-t-octyl acrylamide)

poly(acrylic acid-co-butyl acrylate-co-2-hydroxypropyl acrylate-co-t-octyl acrylamide)

Conditions
ConditionsYield
With 2,2'-azobis(isobutyronitrile) In ethyl acetate Heating / reflux;
...Expand
acrylic acid n-butyl ester
141-32-2

acrylic acid n-butyl ester

tertiary-octyl acrylamide
4223-03-4

tertiary-octyl acrylamide

acrylic acid
79-10-7

acrylic acid

2-hydroxyethyl acrylate
818-61-1

2-hydroxyethyl acrylate

poly(acrylic acid-co-butyl acrylate-co-2-hydroxyethyl acrylate-co-t-octyl acrylamide)

poly(acrylic acid-co-butyl acrylate-co-2-hydroxyethyl acrylate-co-t-octyl acrylamide)

Conditions
ConditionsYield
With 2,2'-azobis(isobutyronitrile) In ethyl acetate Heating / reflux;
With 2,2'-azobis(isobutyronitrile) In ethyl acetate Heating / reflux;
...Expand
tertiary-octyl acrylamide
4223-03-4

tertiary-octyl acrylamide

dimethyldiallylammonium chloride
7398-69-8

dimethyldiallylammonium chloride

dimethyl diallyl ammonium chloride/N-tert-octyl acrylamide

dimethyl diallyl ammonium chloride/N-tert-octyl acrylamide

Conditions
ConditionsYield
With 2,2'-azobis(isobutyronitrile) In methanol; ethanol; water at 68℃; for 79.5h; Product distribution / selectivity; Heating / reflux;

2-Propenamide,N-(1,1,3,3-tetramethylbutyl)- Specification

The 2-Propenamide,N-(1,1,3,3-tetramethylbutyl)-, with the CAS registry number 4223-03-4, is also known as N-tert-Octylacrylamide. Its EINECS number is 224-169-7. It belongs to the product category of Monomer. This chemical's molecular formula is C11H21NO and molecular weight is 183.29. What's more, its systematic name is N-(2,4,4-Trimethylpentan-2-yl)prop-2-enamide. 

Physical properties of 2-Propenamide,N-(1,1,3,3-tetramethylbutyl)- are: (1)ACD/LogP: 2.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.3; (4)ACD/LogD (pH 7.4): 2.3; (5)ACD/BCF (pH 5.5): 33.22; (6)ACD/BCF (pH 7.4): 33.22; (7)ACD/KOC (pH 5.5): 427.25; (8)ACD/KOC (pH 7.4): 427.25; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.445; (14)Molar Refractivity: 56.29 cm3; (15)Molar Volume: 211.2 cm3; (16)Polarizability: 22.31×10-24 cm3; (17)Surface Tension: 27.1 dyne/cm; (18)Density: 0.867 g/cm3; (19)Flash Point: 171.1 °C; (20)Enthalpy of Vaporization: 52.89 kJ/mol; (21)Boiling Point: 289.6 °C at 760 mmHg; (22)Vapour Pressure: 0.00218 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)(C)CC(C)(C)NC(=O)C=C
(2)InChI: InChI=1S/C11H21NO/c1-7-9(13)12-11(5,6)8-10(2,3)4/h7H,1,8H2,2-6H3,(H,12,13)
(3)InChIKey: YRDNVESFWXDNSI-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1210mg/kg (1210mg/kg)   Archives of Toxicology. Vol. 47, Pg. 179, 1981.

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