4-Methylumbelliferyl butyrate supplier

Name
4-METHYLUMBELLIFERYL BUTYRATE
EINECS 241-694-7
CAS No. 17695-46-4
Article Data9
CAS DataBase
Density 1.197 g/cm³
Solubility DMF: soluble
Melting Point 90-92 °C(lit.)
Formula C₁₄H₁₄O₄
Boiling Point 393.4 °C at 760 mmHg
Molecular Weight 246.263
Flash Point 199.8 °C
Transport Information
Appearance
Safety 24/25
Risk Codes 26/27/28
Molecular Structure
Hazard Symbols T+
Synonyms Butyricacid, ester with 7-hydroxy-4-methylcoumarin (8CI);Coumarin,7-hydroxy-4-methyl-, butyrate (8CI);4-Methylumbelliferone butyrate;Butyricacid 4-methyl-2-oxo-2H-chromen-7-yl ester;Butyryl 4-methylumbelliferone;NSC152103;NSC 688808;
PSA 56.51000
LogP 2.80690

4-Methylumbelliferyl butyrate Specification

The 4-Methylumbelliferyl butyrate, with the CAS registry number 17695-46-4, is also known as 4-Methyl-2-oxo-2H-1-benzopyran-7-yl butyrate. It belongs to the product category of Substrates. Its EINECS number is 241-694-7. This chemical's molecular formula is C₁₄H₁₄O₄ and formula weight is 246.26. What's more, its IUPAC name is called (4-methyl-2-oxochromen-7-yl) butanoate.

Physical properties of 4-Methylumbelliferyl butyrate: (1)ACD/LogP: 2.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.92; (4)ACD/LogD (pH 7.4): 2.92; (5)ACD/BCF (pH 5.5): 98.13; (6)ACD/BCF (pH 7.4): 98.13; (7)ACD/KOC (pH 5.5): 927.54; (8)ACD/KOC (pH 7.4): 927.54; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.545; (13)Molar Refractivity: 65.07 cm³; (14)Molar Volume: 205.7 cm³; (15)Surface Tension: 42.7 dyne/cm; (16)Density: 1.197 g/cm³; (17)Melting Point: 90-92 °C; (18)Flash Point: 199.8 °C; (19)Enthalpy of Vaporization: 64.33 kJ/mol; (20)Boiling Point: 393.4 °C at 760 mmHg; (21)Vapour Pressure: 2.13E-06 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical which at very low levels can cause damage to health. It is very toxic by inhalation, in contact with skin and if swallowed. You should avoid contacting it with skin and eyes.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCC(=O)OC1=CC2=C(C=C1)C(=CC(=O)O2)C
(2)InChI: InChI=1S/C14H14O4/c1-3-4-13(15)17-10-5-6-11-9(2)7-14(16)18-12(11)8-10/h5-8H,3-4H2,1-2H3
(3)InChIKey: WKPUJZVCZXWKCK-UHFFFAOYSA-N

Product Name

4-METHYLUMBELLIFERYL BUTYRATE

4-Methylumbelliferyl butyrate Specification

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