Introduction:Basic information about CAS 13980-94-4|2,3-Butanediol,2-(3-chlorophenyl)-3-methyl-, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 2,3-Butanediol,2-(3-chlorophenyl)-3-methyl- |
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| CAS Number | 13980-94-4 | Molecular Weight | 214.68900 |
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| Density | 1.195g/cm3 | Boiling Point | 332.8ºC at 760mmHg |
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| Molecular Formula | C11H15ClO2 | Melting Point | / |
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| MSDS | / | Flash Point | 155.1ºC |
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Names
| Name | 2-(3-chlorophenyl)-3-methylbutane-2,3-diol |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.195g/cm3 |
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| Boiling Point | 332.8ºC at 760mmHg |
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| Molecular Formula | C11H15ClO2 |
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| Molecular Weight | 214.68900 |
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| Flash Point | 155.1ºC |
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| Exact Mass | 214.07600 |
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| PSA | 40.46000 |
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| LogP | 2.31840 |
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| Vapour Pressure | 5.66E-05mmHg at 25°C |
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| Index of Refraction | 1.549 |
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| InChIKey | OLXAYPPTCHXQRE-UHFFFAOYSA-N |
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| SMILES | CC(C)(O)C(C)(O)c1cccc(Cl)c1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- EK0875000
- CHEMICAL NAME :
- 2,3-Butanediol, 2-(m-chlorophenyl)-3-methyl-
- CAS REGISTRY NUMBER :
- 13980-94-4
- LAST UPDATED :
- 199106
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C11-H15-Cl-O2
- MOLECULAR WEIGHT :
- 214.71
- WISWESSER LINE NOTATION :
- QX1&1&XQ1&R CG
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 450 mg/kg
- TOXIC EFFECTS :
- Behavioral - altered sleep time (including change in righting reflex) Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - respiratory depression
- REFERENCE :
- TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 3,335,1961
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 700 mg/kg
- TOXIC EFFECTS :
- Behavioral - altered sleep time (including change in righting reflex) Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - respiratory depression
- REFERENCE :
- TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 3,335,1961
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Synonyms
| Metaglycodolum [INN-Latin] |
| 2,3-BUTANEDIOL,2-(m-CHLOROPHENYL)-3-METHYL |
| 2-m-Chlorophenyl-3-methyl-2,3-butanediol |
| Metaglycodol |
| Metaglicodol [INN-Spanish] |