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38285-49-3

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Basic Information
CAS No.: 38285-49-3
Name: TEPYL ACETATE
Molecular Structure:
Molecular Structure of 38285-49-3 (TEPYL ACETATE)
Formula: C12H22O3
Molecular Weight: 214.34
Synonyms: 5-methyl-3-butyltetrahydropyran-4-ylacetate;3-Butyltetrahydro-5-methyl-2H-pyran-4-ylacetat;JESSEMAL,IFF;JESSEMAL;3-butyltetrahydro-5-methyl-2h-pyran-4-oacetate;JASMELIA;tetrahydro-3-butyl-5-methyl-2h-pyran-4-oacetate;
Density: 0.97g/cm3
Boiling Point: 271.5°Cat760mmHg
Flash Point: 108.4°C
Safety: Low toxicity by ingestion and skin contact. A skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes.
PSA: 35.53000
LogP: 2.39080
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Chemistry

IUPAC Name: (3-Butyl-5-methyloxan-4-yl) acetate 
Following is the structure of 5-Methyl-3-butyltetrahydropyran-4-yl acetate (CAS NO.38285-49-3):
                    
Empirical Formula: C12H22O3
Molecular Weight: 214.3013 g/mol
EINECS: 253-863-2
Density: 0.97 g/cm3
Flash Point: 108.4 °C
Surface Tension: 31.6 dyne/cm
Enthalpy of Vaporization: 50.98 kJ/mol
Boiling Point: 271.5 °C at 760 mmHg
Vapour Pressure: 0.00641 mmHg at 25 °C
Index of Refraction of 5-Methyl-3-butyltetrahydropyran-4-yl acetate (CAS NO.38285-49-3): 1.45
Canonical SMILES: CCCCC1COCC(C1OC(=O)C)C
InChI: InChI=1S/C12H22O3/c1-4-5-6-11-8-14-7-9(2)12(11)15-10(3)13/h9,11-12H,4-8H2,1-3H3
InChIKey: XWNKVSFNBVIKJB-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

skn-rbt 500 mg/24H MLD

     FCTXAV    Food and Cosmetics Toxicology. 14 (1976),601.
2.    

orl-rat LD50:>5 g/kg

     FCTXAV    Food and Cosmetics Toxicology. 14 (1976),601.
3.    

skn-rbt LD50:>5 g/kg

     FCTXAV    Food and Cosmetics Toxicology. 14 (1976),601.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Low toxicity by ingestion and skin contact. A skin irritant. When heated to decomposition, 5-Methyl-3-butyltetrahydropyran-4-yl acetate (CAS NO.38285-49-3) emits acrid smoke and irritating fumes.

Specification

 5-Methyl-3-butyltetrahydropyran-4-yl acetate , its cas register number is 38285-49-3. It also can be called 3-Butyl-5-methyl-tetrahydro-2H-pyran-4-yl acetate ; Acetic acid, 3-butyl-5-methyl-tetrahydro-2H-pyran-4-yl ester ; and Tetrahydro-2H-pyran-4-ol, 3-butyl-5-methyl-, acetate . Its classification code is Skin / Eye Irritant.