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| CAS No.: | 6280-99-5 |
|---|---|
| Name: | DL-MALIC ACID DI-N-BUTYL ESTER |
| Article Data: | 8 |
| Molecular Structure: | |
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|
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| Formula: | C12H22 O5 |
| Molecular Weight: | 246.304 |
| Synonyms: | Butanedioicacid, hydroxy-, dibutyl ester (9CI); Butanedioic acid, hydroxy-, dibutyl ester,(?à)-; Malic acid, dibutyl ester, (?à)- (8CI); (?à)-Dibutyl malate; Dibutyl malate;ENT-337; NSC 261107; NSC 6194 |
| EINECS: | 228-485-6 |
| Density: | 1.04 |
| Boiling Point: | 299°C (estimate) |
| Solubility: | Toxicity data (The meaning of any toxicological abbreviations which appear in this section is given
Stability
Toxicology |
| Risk Codes: | R36/37/38 |
| Safety: | Moderately toxic by intraperitoneal route. Low toxicity by ingestion and inhalation. When heated to decomposition it emits acrid smoke and irritating vapors. |
| PSA: | 72.83000 |
| LogP: | 1.42400 |
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Chemistry
Empirical Formula of dl-Dibutyl malate (CAS NO.6280-99-5): C12H22O5
Molecular Weight: 246.3001 g/mol
EINECS: 228-485-6
Index of Refraction: 1.454
Density: 1.064 g/cm3
Flash Point: 121.3 °C
Enthalpy of Vaporization: 68.13 kJ/mol
Boiling Point: 344.3 °C at 760 mmHg
Vapour Pressure: 4.24E-06 mmHg at 25 °C
Structure of dl-Dibutyl malate (CAS NO.6280-99-5):
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IUPAC Name of dl-Dibutyl malate (CAS NO.6280-99-5): Dibutyl 2-hydroxybutanedioate
Canonical SMILES: CCCCOC(=O)CC(C(=O)OCCCC)O
InChI: InChI=1S/C12H22O5/c1-3-5-7-16-11(14)9-10(13)12(15)17-8-6-4-2/h10,13H,3-9H2,1-2H3
InChIKey: PDSCSYLDRHAHOX-UHFFFAOYSA-N
Toxicity Data With Reference
| 1. | orl-rat LD50:>9699 mg/kg | NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) AD-A010-337 . | ||
| 2. | ihl-rat LC:>4 g/m3/8H | NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) AD-A010-337 . | ||
| 3. | ipr-rat LD50:>1272 mg/kg | NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) AD-A010-337 . |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Moderately toxic by intraperitoneal route. Low toxicity by ingestion and inhalation. When heated to decomposition it emits acrid smoke and irritating vapors.
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
Specification
dl-Dibutyl malate ,its cas register number is 6280-99-5. It also can be called Dibutyl malate ; Malic acid, dibutyl ester ;and Butanedioic acid, 2-hydroxy-, dibutyl ester .