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| CAS No.: | 6795-23-9 |
|---|---|
| Name: | AFLATOXIN M1 |
| Molecular Structure: | |
|
|
|
| Formula: | C17H12 O7 |
| Molecular Weight: | 328.278 |
| Synonyms: | 1-Cyclopentene-1-carboxylicacid, 2-(3a,8a-dihydro-3a,4-dihydroxy-6-methoxyfuro[2,3-b]benzofuran-5-yl)-5-oxo-,d-lactone (7CI);Cyclopenta[c]furo[3',2':4,5]furo[2,3-h][1]benzopyran-1,11-dione,2,3,6a,9a-tetrahydro-9a-hydroxy-4-methoxy-, (6aR-cis)- (8CI); AFM1; AflatoxinM1 |
| Density: | 1.66g/cm3 |
| Melting Point: | 299℃ |
| Boiling Point: | 644.3oC at 760 mmHg |
| Flash Point: | 11oC |
| Hazard Symbols: |
 T+, F, Xn
|
| Risk Codes: | R26/27/28; R40; R39/23/24/25; R23/25; R23/24/25; R11; R36; R20/21/22 |
| Safety: | Confirmed carcinogen with experimental tumorigenic data. Poison by ingestion. Mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes. See also various aflatoxins. |
| PSA: | 95.20000 |
| LogP: | 1.38050 |
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Chemistry
Molecule structure of Aflatoxin M1 (CAS NO.6795-23-9):
Molecular Weight: 328.27298 g/mol
Molecular Formula: C17H12O7
Density: 1.66 g/cm3
Boiling Point: 644.3 °C at 760 mmHg
Flash Point: 246.1 °C
Index of Refraction: 1.718
Molar Refractivity: 77.57 cm3
Molar Volume: 196.7 cm3
Polarizability: 30.75×10-24 cm3
Surface Tension: 80.8 dyne/cm
Enthalpy of Vaporization: 99.9 kJ/mol
Vapour Pressure: 1.76E-17 mmHg at 25 °C
Storage Temp.: 2-8 °C
XLogP3-AA: 0.5
H-Bond Donor: 1
H-Bond Acceptor: 7
Rotatable Bond Count: 1
Tautomer Count: 10
Exact Mass: 328.058303
MonoIsotopic Mass: 328.058303
Topological Polar Surface Area: 91.3
Heavy Atom Count: 24
Complexity: 695
Canonical SMILES: COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4C(=C1)OC5C4(C=CO5)O
InChI: InChI=1S/C17H12O7/c1-21-9-6-10-13(17(20)4-5-22-16(17)23-10)14-12(9)7-2-3-8(18)11(7)15(19)24-14/h4-6,16,20H,2-3H2,1H3
InChIKey: MJBWDEQAUQTVKK-UHFFFAOYSA-N
EINECS: 229-865-4
Product Categories: Biotoxins; Mycotoxins; Single component solutions; A; AA to ALBiotoxins; Alphabetic; Cancer Research; CarcinogensCell Signaling and Neuroscience; Mold; Toxins and Venoms
Toxicity Data With Reference
| 1. | dnd-rat-orl 3600 ng/kg | CBINA8 Chemico-Biological Interactions. 32 (1980),249. | ||
| 2. | cyt-rat-orl 1 mg/kg | JNCIAM Journal of the National Cancer Institute. 47 (1971),585. | ||
| 3. | mma-sat 200 ng/plate | JEPTDQ Journal of Environmental Pathology and Toxicology. 2 (1979),1099. | ||
| 4. | dns-rat:lvr 600 ng/plate | TOXID9 Toxicologist. 1 (1981),42. | ||
| 5. | orl-rat LDLo:1500 µg/kg | JNCIAM Journal of the National Cancer Institute. 47 (1971),585. |
Consensus Reports
IARC Cancer Review: Group 2B; Animal Sufficient Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 10 (1976),p. 51.(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 Sufficient Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 56 (1993),p. 245.(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) ; Human Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 56 (1993),p. 245.(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.
Safety Profile
Hazard Codes: 
T+, 
T, 
F, 
Xn
Risk Statements: 26/27/28-40-39/23/24/25-23/25-23/24/25-11-36-20/21/22
R26/27/28:Very toxic by inhalation, in contact with skin and if swallowed.
R40:Limited evidence of a carcinogenic effect.
R39:Danger of very serious irreversible effects.
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed.
R23/25:Toxic by inhalation and if swallowed.
R11:Highly flammable.
R36:Irritating to eyes.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 53-22-36/37/39-45-24-16-7-36-26-36/37
S53:Avoid exposure - obtain special instructions before use.
S22:Do not breathe dust.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S24:Avoid contact with skin.
S16:Keep away from sources of ignition.
S7:Keep container tightly closed.
S36:Wear suitable protective clothing.
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 3462 6.1/PG 1
WGK Germany: 3
RTECS: GY1880000
F: 10-23
HazardClass: 6.1(a)
PackingGroup: I
Confirmed carcinogen with experimental tumorigenic data. Poison by ingestion. Mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes. See also various aflatoxins.
Specification
Aflatoxin M1 (CAS NO.6795-23-9) is also named as 4-Hydroxyaflatoxin B1 ; CCRIS 15 ; (6AR-cis)-2,3,6a,9a-tetrahydro-9a-hydroxy-4-methoxycyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,11-dione ; Cyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,11-dione, 2,3,6a,9a-tetrahydro-9a-hydroxy-4-methoxy- . Aflatoxin M1 (CAS NO.6795-23-9) is highly toxic. It will produce stimulate smoke when buring. So the storage environment should be ventilate, low-temperature and dry. Keep Aflatoxin M1 (CAS NO.6795-23-9) separate from raw materials of food.