Introduction:Basic information about CAS 12111-24-9|calcium trisodium pentetate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | calcium trisodium pentetate |
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| CAS Number | 12111-24-9 | Molecular Weight | 497.35400 |
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| Density | / | Boiling Point | 721.1ºC at 760mmHg |
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| Molecular Formula | C14H18CaN3Na3O10 | Melting Point | / |
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| MSDS | / | Flash Point | 389.9ºC |
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Names
| Name | calcium trisodium pentetate |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Boiling Point | 721.1ºC at 760mmHg |
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| Molecular Formula | C14H18CaN3Na3O10 |
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| Molecular Weight | 497.35400 |
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| Flash Point | 389.9ºC |
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| Exact Mass | 497.03100 |
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| PSA | 182.71000 |
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| Vapour Pressure | 9.53E-23mmHg at 25°C |
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| InChIKey | AYFCVLSUPGCQKD-UHFFFAOYSA-I |
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| SMILES | O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CCN(CC(=O)[O-])CC(=O)[O-].[Ca+2].[Na+].[Na+].[Na+] |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- MB8210000
- CHEMICAL NAME :
- Glycine, N,N-bis(2-(bis(carboxymethyl)amino)ethyl)-, calcium trisodium salt
- CAS REGISTRY NUMBER :
- 12111-24-9
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 13
- MOLECULAR FORMULA :
- C14-H18-N3-O10.Ca.3Na
- MOLECULAR WEIGHT :
- 497.40
- WISWESSER LINE NOTATION :
- OV1N1VO&2N1VO2N1VO&1VO &-NA- 3 &-CA-
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 2512 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 7269 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- DOSE :
- 659 mg/kg
- SEX/DURATION :
- female 9 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Specific Developmental Abnormalities - eye/ear Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight gain)
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- DOSE :
- 1790 mg/kg
- SEX/DURATION :
- female 9-13 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Specific Developmental Abnormalities - Central Nervous System
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- DOSE :
- 2685 mg/kg
- SEX/DURATION :
- female 9-13 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Specific Developmental Abnormalities - eye/ear
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- DOSE :
- 3581 mg/kg
- SEX/DURATION :
- female 7-11 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Specific Developmental Abnormalities - Central Nervous System Reproductive - Specific Developmental Abnormalities - eye/ear
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- DOSE :
- 30 gm/kg
- SEX/DURATION :
- female 1-21 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Fertility - litter size (e.g. # fetuses per litter; measured before birth)
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- DOSE :
- 3580 mg/kg
- SEX/DURATION :
- female 7-11 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Fertility - abortion
- TYPE OF TEST :
- DNA inhibition
MUTATION DATA - TYPE OF TEST :
- Mutation test systems - not otherwise specified
- TEST SYSTEM :
- Rodent - rat Liver
- DOSE/DURATION :
- 10 mmol/L
- REFERENCE :
- BCPCA6 Biochemical Pharmacology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.1- 1958- Volume(issue)/page/year: 23,901,1974 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X9954 No. of Facilities: 116 (estimated) No. of Industries: 1 No. of Occupations: 4 No. of Employees: 1702 (estimated) No. of Female Employees: 1258 (estimated)
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Synonyms
| Pentetate sodium calcium |
| CALCIUMDTPA |
| Pentetate Calcium Trisodium |