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79-06-1

Basic Information
CAS No.: 79-06-1
Name: 2-Propenamide
Article Data: 195
Molecular Structure:
Molecular Structure of 79-06-1 (2-Propenamide)
Formula: C3H5NO
Molecular Weight: 71.0788
Synonyms: Acrylamide(8CI);Acrylic amide;Bio-Acrylamide 50;Ethylenecarboxamide;NSC 7785;Propenamide;Vinyl amide;
EINECS: 201-173-7
Density: 0.961 g/cm3
Melting Point: 82-86 °C(lit.)
Boiling Point: 231.711 °C at 760 mmHg
Flash Point: 78.951 °C
Solubility: soluble in water
Appearance: white crystals
Hazard Symbols: ToxicT
Risk Codes: 45-46-20/21-25-36/38-43-48/23/24/25-62-48/20/21/22-22-24/25
Safety: 53-45-24-36/37/39-26-36/37
Transport Information: UN 3426 6.1/PG 3
PSA: 43.09000
LogP: 0.35800
Synthetic route
107-13-1

acrylonitrile

79-06-1

2-propenamide

Conditions
ConditionsYield
With amorphous Cu-Ti alloy; hydrogen fluoride Product distribution; other Cu alloys or Cu metal, absence HF;100%
With water; aluminum oxide; Ru(OH)x at 119.85℃; for 24h;100%
With water; copper chromite, reduced, supported in stainless steel wire socks at 64 - 96℃; under 637.564 Torr; Heating / reflux;100%
107-13-1

acrylonitrile

A

79-06-1

2-propenamide

B

79-10-7

acrylic acid

Conditions
ConditionsYield
With water at 0 - 4℃; for 7.5h; culture broth containing cells of Pseudomonas chlororaphis, strain B23;A 99%
B 0.7%
With water; copper oxide, reduced, supported in stainless steel wire socks at 135 - 158℃; under 3760.13 Torr; Heating / reflux;
3130-87-8

ASPARAGINE

79-06-1

2-propenamide

Conditions
ConditionsYield
With deglycase DJ-1 at 70℃; Reagent/catalyst; Temperature; Enzymatic reaction;98%
107-02-8

acrolein

79-06-1

2-propenamide

Conditions
ConditionsYield
With choline chloride * 2ZnCl2; hydroxylamine hydrochloride at 80℃; for 15h; Green chemistry;91%
With hydroxylamine In water at 110℃; for 12h;76%
With hydroxylamine In water at 110℃; for 12h;76%
107-13-1

acrylonitrile

115-11-7

isobutene

A

107-58-4

N-tert-Butylacrylamide

B

15214-89-8

2-acrylamido-2-methylpropanesulfonic acid

C

79-06-1

2-propenamide

Conditions
ConditionsYield
With sulfuric acid at 20℃; for 2h;A n/a
B 87%
C n/a
1147-43-9

2-(2-aminobenzoyl)benzoic acid

814-68-6

acryloyl chloride

A

2-acrylaminobenzophenone-2'-carboxylic acid

B

79-06-1

2-propenamide

Conditions
ConditionsYield
With hydrogenchloride; sodium hydroxide In ethanolA 86%
B n/a
67969-82-8

tetrafluoroboric acid diethyl ether

F6P(1-)*C27H44Fe2NOS2(1+)

107-13-1

acrylonitrile

A

F6P(1-)*C30H46Fe2N2S2(2+)*BF4(1-)

B

79-06-1

2-propenamide

Conditions
ConditionsYield
In acetone at 20℃; for 2h; Inert atmosphere; Schlenk technique;A 85%
B 86%
4441-33-2

3-(morpholin-4-yl)propionamide

108-24-7

acetic anhydride

A

1696-20-4

4-acetylmorpholine

B

79-06-1

2-propenamide

Conditions
ConditionsYield
Stage #1: 3-(morpholin-4-yl)propionamide; acetic anhydride In toluene at 20 - 80℃; for 2h; Inert atmosphere;
Stage #2: With 2,6-di-tert-butyl-4-methyl-phenol; triethylamine Reagent/catalyst; Reflux;
A 84%
B 86%
›PtCl(PMe2 OH)(PMe2 O)2[H]

›PtCl(PMe2 OH)(PMe2 O)2[H]

107-13-1

acrylonitrile

79-06-1

2-propenamide

Conditions
ConditionsYield
In ethanol; water83%

ammonium 3-hydroxypropionate

A

79-06-1

2-propenamide

B

acrylic acid ammonium salt

C

503-66-2

3-hydroxypropionic acid

Conditions
ConditionsYield
With ammonia; Ti-0720 (Engelhard) catalyst In water at 200 - 250℃; for 37h; Product distribution / selectivity;A n/a
B 75%
C n/a
titanium catalyst In water at 180℃; for 37h; Product distribution / selectivity;A 1.5%
B 65%
C n/a
titanium catalyst In water at 180℃; for 37h; Product distribution / selectivity;A 1.5%
B 65%
C n/a
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Chemistry

Product Name: Acrylamide (CAS NO.79-06-1)

Molecular Formula: C3H5NO
Molecular Weight: 71.08g/mol
Mol File: 79-06-1.mol
EINECS: 201-173-7
Melting Point: 82-86 °C(lit.)
Boiling point: 231.7 °C at 760 mmHg
Storage Temperature: 2-8°C
Flash Point: 79 °C
Density: 0.961 g/cm3
Refractive index: 1.460
Water Solubility: H2O: 50 mg/mL at 20 °C, clear, colorless
Sensitive: Light Sensitive
Stability: Unstable. Do not heat above 50C. Explosive. Incompatible with acids, bases, oxidizing agents, reducing agents, iron and iron salts, copper, aluminium, brass, free radical initiators. Air sensitive. Hygroscopic.
Index of Refraction: 1.433 
Molar Refractivity: 19.23 cm3 
Molar Volume: 73.9 cm3 
Surface Tension: 31 dyne/cm
Enthalpy of Vaporization: 46.84 kJ/mol
Vapour Pressure: 0.0614 mmHg at 25°C
XLogP3-AA: -0.7
H-Bond Donor: 1
H-Bond Acceptor: 1
Structure Descriptors of Acrylamide (CAS NO.79-06-1):
  IUPAC Name: prop-2-enamide
  Canonical SMILES: C=CC(=O)N
  InChI: InChI=1S/C3H5NO/c1-2-3(4)5/h2H,1H2,(H2,4,5) 
  InChIKey: HRPVXLWXLXDGHG-UHFFFAOYSA-N
Product Categories: Industrial/Fine Chemicals; Acrylamide; Reagents for Electrophoresis; Biochemistry; Water Ttreatment Chemicals; AcrylamidesGlycobiology; Electrophoresis of Glycans; Glycan Labeling and Analysis; Protein Electrophoresis; SDS-PAGE; Biochemicals; Molecular Biology; Molecular Biology Reagents

Uses

 Acrylamide (CAS NO.79-06-1) is used for sewage and waste treatment and it is also used to make dyes, adhesives.

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 150mg/kg (150mg/kg)   Toxicology and Applied Pharmacology. Vol. 6, Pg. 172, 1964.
guinea pig LD50 subcutaneous 170mg/kg (170mg/kg) BEHAVIORAL: TREMOR

GASTROINTESTINAL: NAUSEA OR VOMITING

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)
Medicina del Lavoro. Industrial Medicine. Vol. 47, Pg. 192, 1956.
guinea pig LD50 unreported 173mg/kg (173mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 43(9), Pg. 38, 1978.
mammal (species unspecified) LD50 oral 100mg/kg (100mg/kg)   Kagaku to Seibutsu. Chemistry and Biology. Vol. 17, Pg. 495, 1979.
mammal (species unspecified) LDLo intravenous 190mg/kg (190mg/kg)   Comptes Rendus Hebdomadaires des Seances, Academie des Sciences. Vol. 153, Pg. 895, 1911.
mouse LD50 intraperitoneal 170mg/kg (170mg/kg)   Toxicology and Applied Pharmacology. Vol. 33, Pg. 142, 1975.
mouse LD50 oral 107mg/kg (107mg/kg)   Archives of Toxicology. Vol. 47, Pg. 179, 1981.
mouse LD50 unreported 156mg/kg (156mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 43(9), Pg. 38, 1978.
quail LD50 oral 186mg/kg (186mg/kg) PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE)

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)
Journal of Toxicology and Environmental Health. Vol. 7, Pg. 935, 1981.
rabbit LD50 oral 150mg/kg (150mg/kg)   Toxicology and Applied Pharmacology. Vol. 6, Pg. 172, 1964.
rabbit LD50 skin 1680uL/kg (1.68mL/kg) BEHAVIORAL: "HALLUCINATIONS, DISTORTED PERCEPTIONS" Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 115, 1990.
rabbit LD50 unreported 280mg/kg (280mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 43(9), Pg. 38, 1978.
rat LD50 intraperitoneal 90mg/kg (90mg/kg)   Archives des Maladies Professionnelles de Medecine du Travail et de Securite Sociale. Vol. 36, Pg. 58, 1975.
rat LD50 oral 124mg/kg (124mg/kg)   Archives des Maladies Professionnelles de Medecine du Travail et de Securite Sociale. Vol. 36, Pg. 58, 1975.
rat LD50 skin 400mg/kg (400mg/kg) BLOOD: OTHER CHANGES Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 44(10), Pg. 73, 1979.
rat LD50 unreported 208mg/kg (208mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 43(9), Pg. 38, 1978.

Consensus Reports

NTP 10th Report on Carcinogens. IARC Cancer Review: Group 2B MELAAD    Medicina del Lavoro. Industrial Medicine. 47 (1956),192. ; Animal Sufficient Evidence IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 39 (1986),p. 41 . EPA Extremely Hazardous Substances List. Community Right-To-Know List. Reported in EPA TSCA Inventory.

Safety Profile

Safety Information of Acrylamide (CAS NO.79-06-1):
Hazard Codes: TToxic
Risk Statements: 45-46-20/21-25-36/38-43-48/23/24/25-62-48/20/21/22-22-24/25   
R45:May cause cancer. 
R46:May cause heritable genetic damage. 
R20/21:Harmful by inhalation and in contact with skin. 
R25 :Toxic if swallowed. 
R36/38:Irritating to eyes and skin. 
R43:May cause sensitization by skin contact. 
R48:Danger of serious damage to health by prolonged exposure. 
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed. 
R62:Risk of impaired fertility. 
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed. 
R22:Harmful if swallowed. 
R45:May cause cancer.
Safety Statements: 53-45-24-36/37/39-26-36/37
S53:Avoid exposure - obtain special instructions before use. 
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37:Wear suitable protective clothing and gloves.
RIDADR: UN 3426 6.1/PG 3
WGK Germany: 3
RTECS: AS3325000
F: 8-10
HazardClass: 6.1
PackingGroup: III
HS Code: 29241900

Standards and Recommendations

OSHA PEL: TWA 0.03 mg/m3 (skin)
ACGIH TLV: Animal Carcinogen, TWA 0.03 mg/m3 (skin)
DFG MAK: Animal Carcinogen, Suspected Human Carcinogen
NIOSH REL: TWA 0.3 mg/m3
DOT Classification:  6.1; Label: KEEP AWAY FROM FOOD

Analytical Methods

For occupational chemical analysis use OSHA: #21.

Specification

 Acrylamide , its CAS NO. is 79-06-1, the synonyms are Optimum ; Propenamide ; Propeneamide ; Propenoic acid amide .