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Basic Information
CAS No.: 1637-24-7
Name: 2-methylpentane-2,4-diyl diacetate
Article Data: 5
Molecular Structure:
Molecular Structure of 1637-24-7 (2-methylpentane-2,4-diyl diacetate)
Formula: C10H18 O4
Molecular Weight: 202.251
Synonyms: 2,4-Pentanediol,2-methyl-, diacetate (7CI,8CI,9CI); 2-Methyl-2,4-pentanediol diacetate; NSC50325
Density: 1.006g/cm3
Boiling Point: 250°C at 760 mmHg
Flash Point: 113.5°C
Safety: Moderately toxic by ingestion. Mildly toxic by skin contact. A skin irritant. When heated to decomposition it emits acrid smoke and fumes.
PSA: 52.60000
LogP: 1.66980
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Chemistry

Molecular Structure of 2-Methylpentane-2,4-diyl diacetate (CAS NO. 1637-24-7):

EINECS: 216-667-8
IUPAC Name: (4-Acetyloxy-2-methylpentan-2-yl) acetate 
Molecular Formula: C10H18O4
Molecular Weight: 202.247520 g/mol
XLogP3-AA: 1.4
H-Bond Donor: 0
H-Bond Acceptor: 4
Canonical SMILES: CC(CC(C)(C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C10H18O4/c1-7(13-8(2)11)6-10(4,5)14-9(3)12/h7H,6H2,1-5H3
InChIKey: PTPLKZHLDXVIBT-UHFFFAOYSA-N
Index of Refraction: 1.429
Molar Refractivity: 51.85 cm3
Molar Volume: 200.9 cm3
Surface Tension: 30.3 dyne/cm
Density: 1.006 g/cm3
Flash Point: 113.5 °C
Enthalpy of Vaporization: 48.73 kJ/mol
Boiling Point: 250 °C at 760 mmHg
Vapour Pressure: 0.0222 mmHg at 25 °C
Water Solubility: 580.6 mg/L at 25 °C
BRN of 2-Methylpentane-2,4-diyl diacetate (CAS NO. 1637-24-7): 1708624

Toxicity Data With Reference

1.    

skn-rbt 500 mg open MLD

     UCDS**    Union Carbide Data Sheet. (Industrial Medicine and Toxicology Dept., Union Carbide Corp., 270 Park Ave., New York, NY 10017) 12/13 ,1967.
2.    

orl-rat LD50:3360 mg/kg

     AIHAAP    American Industrial Hygiene Association Journal. 30 (1969),470.
3.    

skn-rbt LD50:16 g/kg

     AIHAAP    American Industrial Hygiene Association Journal. 30 (1969),470.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Moderately toxic by ingestion. Mildly toxic by skin contact. A skin irritant. When heated to decomposition it emits acrid smoke and fumes.

Specification

  2-Methylpentane-2,4-diyl diacetate with cas registry number of 1637-24-7 is called for 2,4-Pentanediol, 2-methyl-, diacetate ; 2,4-Pentanediol, 2-methyl-, 2,4-diacetate ; 2-Methyl-2,4-pentanediol diacetate ; 2-Methyl-2,4-pentanediol, diacetate ; 3-02-00-00321 (Beilstein Handbook Reference) ; AI3-32415 ; Acetic acid, 2-methyl-2,4-pentanediol diester ; Acetic acid, hexylene glycol ; NSC 50325 .