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7308-90-9

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Basic Information
CAS No.: 7308-90-9
Name: FLUORESCEIN DILAURATE
Molecular Structure:
Molecular Structure of 7308-90-9 (FLUORESCEIN DILAURATE)
Formula: C44H56O7
Molecular Weight: 696.92
Synonyms: Dodecanoicacid, 3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3',6'-diyl ester (9CI);Fluorescein, dilaurate (7CI,8CI);Lauric acid, diester with fluorescein (8CI);Fluorescein didodecanoate;Fluorescein dilauric acid ester;
EINECS: 230-764-2
Density: 1.15 g/cm3
Boiling Point: 769.1 °C at 760 mmHg
Flash Point: 306.5 °C
Solubility: soluble
Safety: 22-24/25
PSA: 88.13000
LogP: 11.90720
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Specification

This chemical is called Fluorescein dilaurate, and its systematic name is 3',6'-Bis((1-oxododecyl)oxy)spiro(isobenzofuran-1(3H),9'-
(9H)xanthene)-3-one. With the molecular formula of C44H56O7, its molecular weight is 696.91. The CAS registry number of this chemical is 7308-90-9. Additionally, it should be stored at the temperature of -20°C.

Other characteristics of the Fluorescein dilaurate can be summarised as followings: (1)ACD/LogP: 13.40; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 13.4; (4)ACD/LogD (pH 7.4): 13.4; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 7; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 24; (12)Polar Surface Area: 88.13 Å2; (13)Index of Refraction: 1.575; (14)Molar Refractivity: 199.78 cm3; (15)Molar Volume: 604.2 cm3; (16)Polarizability: 79.2×10-24cm3; (17)Surface Tension: 51.4 dyne/cm; (18)Density: 1.15 g/cm3; (19)Flash Point: 306.5 °C; (20)Enthalpy of Vaporization: 111.97 kJ/mol; (21)Boiling Point: 769.1 °C at 760 mmHg; (22)Vapour Pressure: 1.43E-23 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: Do not breathe vapour. Avoid contacting with skin and eyes.

You can still convert the following datas into molecular structure: 
1.SMILES: O=C(Oc5ccc4c(Oc1cc(OC(=O)CCCCCCCCCCC)ccc1C34OC(=O)c2c3cccc2)c5)CCCCCCCCCCC
2.InChI: InChI=1/C44H56O7/c1-3-5-7-9-11-13-15-17-19-25-41(45)48-33-27-29-37-39(31-33)50-40-32-34(49-42(46)26-20-18-16-14-12-10-8-6-4-2)28-30-38(40)44(37)36-24-22-21-23-35(36)43(47)51-44/h21-24,27-32H,3-20,25-26H2,1-2H3
3.InChIKey: MYTRGBGGRICZGN-UHFFFAOYAJ