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| CAS No.: | 542-78-9 |
|---|---|
| Name: | propanedial |
| Molecular Structure: | |
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| Formula: | C3H4 O2 |
| Molecular Weight: | 72.0636 |
| Synonyms: | Malonaldehyde(6CI,8CI);1,3-Propanedialdehyde;Diformylmethane;MDA;Malondialdehyde;Malonic aldehyde;Malonic dialdehyde;Malonodialdehyde;Malonyldialdehyde; |
| Density: | 0.991g/cm3 |
| Melting Point: | 72-74° |
| Boiling Point: | 108.3°Cat760mmHg |
| Flash Point: | 28.9°C |
| Safety: | Moderately toxic by ingestion. Questionable carcinogen with experimental carcinogenic data. Human mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes. See also ALDEHYDES. |
| PSA: | 34.14000 |
| LogP: | -0.22570 |
- 81281-59-67-Benzylideneaminotheophylline
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- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 68439-39-4Poly(oxy-1,2-ethanediyl), alpha-(2-ethylhexyl)-omega-hydroxy-,
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- 958254-66-51H-Imidazo[4,5-b]pyridine-2-carboxaldehyde, 1-methyl-, hydrochloride
- 99170-93-1N-Methyl-2-oxazolamine
- 717878-06-31-(4-fluorophenyl)-4-nitro-1H-imidazole
- 914458-26-7[5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone
- 548773-13-32-amino-4,6-dimethylpyrimidine-5-carboxylic acid
- 17887-80-8
1,3-bis(trimethylsiloxy)propane
- 542-78-9
Malondialdehyde
| Conditions | Yield |
|---|---|
| With chromium(VI) oxide; HZSM-5 zeolite for 0.025h; microwave irradiation; | 99% |
- 113331-81-0, 113331-84-3, 114738-36-2
(1R*,4R*,5S*)-5-phenyl-2,3-dioxabicyclo<2.2.1>heptane
A
- 292638-84-7
styrene
B
- 542-78-9
Malondialdehyde
- 113331-87-6
(3RS,4SR)-3-hydroxy-4-phenyl-1-cyclopentanone
- 113331-88-7, 120708-35-2, 120708-36-3
(3SR,4SR)-4,5-epoxy-3-phenyl-1-pentanal
- 113331-85-4, 114817-51-5, 114817-54-8, 114817-56-0, 120708-38-5
(1R*,3R*,4S*)-4-phenylcyclopentane-1,3-diol
- 113331-86-5, 113428-36-7, 113428-37-8, 113428-41-4, 119238-85-6
(2ξ,4RS,6SR)-6-phenyltetrahydropyran-2,4-diol
| Conditions | Yield |
|---|---|
| With iron(II) sulfate In water; acetonitrile at 0℃; for 0.5h; Product distribution; Mechanism; | A 45% B 39% C 6% D 10% E n/a F n/a |
- 63942-75-6
PGH2 methyl ester
A
- 542-78-9
Malondialdehyde
B
- 79171-56-5
(5Z,8E,10E,12S)-12-hydroxy-5,8,10-heptadecatrienoic acid methyl ester
| Conditions | Yield |
|---|---|
| With tris(triphenylphosphine)ruthenium(II) chloride In dichloromethane at 19℃; for 4h; | A 41% B n/a |
| With tris(triphenylphosphine)ruthenium(II) chloride In dichloromethane at 19℃; for 4h; | |
| With tris(triphenylphosphine)ruthenium(II) chloride In dichloromethane at 19℃; for 4h; Product distribution; ruthenium(II) catalyzed reaction of 1,4-endoperoxide; |
- 279-35-6
1,3-epiperoxycyclopentane
A
- 542-78-9
Malondialdehyde
B
- 65842-25-3
3-oxiranepropanal
C
- 74-85-1
ethene
D
- 16326-97-9
cis-cyclopentane-1,3-diol
E
- 26831-63-0
rac-3-hydroxycyclopentanone
| Conditions | Yield |
|---|---|
| With tris(triphenylphosphine)ruthenium(II) chloride In dichloromethane-d2 at 0℃; for 0.25h; Product distribution; ruthenium(II) catalyzed reactions of 1,4-endoperoxide; | A 16% B 38% C 31% D 9% E 1% |
- 113331-81-0, 113331-84-3, 114738-36-2
(1R*,4R*,5S*)-5-phenyl-2,3-dioxabicyclo<2.2.1>heptane
A
- 292638-84-7
styrene
B
- 542-78-9
Malondialdehyde
- 113331-87-6
(3RS,4SR)-3-hydroxy-4-phenyl-1-cyclopentanone
- 113331-88-7, 120708-35-2, 120708-36-3
(3SR,4SR)-4,5-epoxy-3-phenyl-1-pentanal
| Conditions | Yield |
|---|---|
| With iron(II) sulfate In chloroform for 0.5h; Yield given; | A 45 % Chromat. B n/a C 6% D 10% |
| With iron(II) sulfate In acetonitrile for 30h; | A 45 % Chromat. B n/a C 6% D 10% |
- 113331-81-0, 113331-84-3, 114738-36-2
(1R*,4R*,5S*)-5-phenyl-2,3-dioxabicyclo<2.2.1>heptane
A
- 292638-84-7
styrene
B
- 542-78-9
Malondialdehyde
- 113331-87-6
(3RS,4SR)-3-hydroxy-4-phenyl-1-cyclopentanone
- 113331-88-7, 120708-35-2, 120708-36-3
(3SR,4SR)-4,5-epoxy-3-phenyl-1-pentanal
- 113331-85-4, 114817-51-5, 114817-54-8, 114817-56-0, 120708-38-5
(1R*,3R*,4S*)-4-phenylcyclopentane-1,3-diol
F
- 119238-85-6
6-Phenyl-tetrahydro-pyran-2,4-diol
| Conditions | Yield |
|---|---|
| With iron(II) sulfate In acetonitrile for 0.5h; Product distribution; further electron transfer reag.; var. solv. and time; | A 45 % Chromat. B n/a C 6% D 10% E 1% F n/a |
| Conditions | Yield |
|---|---|
| With hydrogenchloride | |
| With hydrogenchloride | |
| With hydrogenchloride In water at 40℃; for 0.666667h; |
| Conditions | Yield |
|---|---|
| With sodium hydroxide |
- 16545-68-9
cyclopropanol
- 542-78-9
Malondialdehyde
| Conditions | Yield |
|---|---|
| With chromium(VI) oxide at 25℃; Rate constant; |
- 542-78-9
Malondialdehyde
| Conditions | Yield |
|---|---|
| In water for 2h; pH=12, ultrasound; var.: pH=(7; 8; 9; 10; 11), time, presence of air; |
- 66204-44-23,3-Methylenebis(5-methyloxazolidine)
- 74-85-1Ethylene
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- 178557-21-6Benzo[1,2-b:4,5-b']difuran-4-ethanamine,8-bromo-2,3,6,7-tetrahydro-, hydrochloride (9CI)
- 63705-05-5Sulphur
- 112-70-91-Tridecanol
- 478-84-2Ergoline-8-carboxamide,2-bromo-9,10-didehydro-N,N-diethyl-6-methyl-, (8b)-
- 25339-17-7Isodecanol
- 104987-11-3Tacrolimus
- 141-53-7Sodium formate
- 8001-54-5Quaternary ammonium compounds, alkylbenzyldimethyl, chlorides
- 9003-39-8Povidone
- 10161-34-9Trenbolone acetate
- 402957-28-2Telaprevir
- 68-19-9Cyanocobalamin
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Consensus Reports
Consensus of Propanedial (542-78-9):
IARC Cancer Review: Group 3 IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 7 ,1987,p. 56.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Animal Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 36 ,1985,p. 163.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) . EPA Genetic Toxicology Program.
Specification
Malondialdehyde is the organic compound with the formula CH2(CHO)2. With the CAS NO.542-78-9, it is also called propanedial; 1,3-Propanedione; 3-Oxopropanal; Malonyl dialdehyde. Malondialdehyde is a highly reactive compound that is not typically observed in pure form. Malondialdehyde is generated from reactive oxygen species (ROS), and as such is assayed in vivo as a bio-marker of oxidative stress.
Physical properties about Malondialdehyde are: (1)ACD/LogP: -0.987; (2)ACD/LogD (pH 5.5): -2.05; (3)ACD/LogD (pH 7.4): -3.35; (4)ACD/BCF (pH 5.5): 1.00; (5)ACD/BCF (pH 7.4): 1.00; (6)ACD/KOC (pH 5.5): 1.00; (7)ACD/KOC (pH 7.4): 1.00; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.367; (11)Molar Refractivity: 16.321 cm3; (12)Molar Volume: 72.693 cm3; (13)Polarizability: 6.47 10-24cm3; (14)Surface Tension: 29.3999996185303 dyne/cm; (15)Density: 0.991 g/cm3; (16)Flash Point: 28.881 °C; (17)Enthalpy of Vaporization: 34.713 kJ/mol; (18)Boiling Point: 108.332 °C at 760 mmHg; (19)Vapour Pressure: 26.0349998474121 mmHg at 25°C
You can still convert the following datas into molecular structure:
(1)InChI=1S/C3H4O2/c4-2-1-3-5/h2-3H,1H2;
(2)InChIKey=WSMYVTOQOOLQHP-UHFFFAOYSA-N;
(3)SmilesC(C=O)C=O;
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | oral | 606mg/kg (606mg/kg) | Acta Universitatis Ouluensis, Series D: Medica. Vol. 55, Pg. 3, 1980. | |
| rat | LD50 | oral | 632mg/kg (632mg/kg) | LUNGS, THORAX, OR RESPIRATION: DYSPNEA LUNGS, THORAX, OR RESPIRATION: CYANOSIS BEHAVIORAL: MUSCLE WEAKNESS | Toxicology and Applied Pharmacology. Vol. 7, Pg. 826, 1965. |