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1335-49-5

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Basic Information
CAS No.: 1335-49-5
Name: 2-(Hexadecanoyloxy)propionic acid, monoester with glycerol
Molecular Structure:
Molecular Structure of 1335-49-5 (2-(Hexadecanoyloxy)propionic acid, monoester with glycerol)
Formula: C22H42O6
Molecular Weight: 402.5653
Synonyms: Hexadecanoic acid, 1-carboxyethyl ester, monoester with 1,2,3-propanetriol;
EINECS: 215-636-6
Density: 1.02 g/cm3
Boiling Point: 518.5 °C at 760 mmHg
Flash Point: 165 °C
PSA: 93.06000
LogP: 4.29580
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  • 2-(Hexadecanoyloxy)propionic acid, monoester with glycerol

  • Casno:

    1335-49-5

    2-(Hexadecanoyloxy)propionic acid, monoester with glycerol

    Min.Order: 10 Gram

    FOB Price:  USD $ 0.0-0.0

    Zibo Hangyu Biotechnology Development Co., Ltd is a leading manufacturer and supplier of chemicals in China. We develop produce and distribute high quality pharmaceuticals, intermediates, special chemicals and OLED intermediates and other fine chemi

    Hangyu Biotech is a leading manufacturer and supplier of chemicals in China. We develop produce and distribute high quality pharmaceuticals, intermediates, special chemicals and O

  •  Zibo Hangyu Biotechnology Development Co., Ltd

    China (Mainland)  |  Contact Details

    Business Type:Lab/Research institutions

    Tel:86-15965530500

    Address:Room1701, Tianxing Building,Licheng district, jinan, Shandong, China

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  • 2-(hexadecanoyloxy)propionic acid, monoester with glycerol

  • Casno:

    1335-49-5

    2-(hexadecanoyloxy)propionic acid, monoester with glycerol

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    Shanghai, Run-Biotech Co., Ltd is a leading domestic pharmaceutical, biopharmaceutical, and health care products R & D outsourcing services company. As an innovation-driven and customer-focused company, Run Biotech provides a broad and integrated por

    Shanghai fine pharma co., Ltd. is a professional enterprise with chemical reagents and fine chemical products development, development and trade. The company has a sound research a

  • Shanghai Run-Biotech Co., Ltd.

     China (Mainland)  |  Contact Details

    Business Type:Trading Company

    Tel:+86-21-31576854/57171705 / 57171706

    Address:second floor, building 3, No.999, jiangyue Road, minghang District, Shanghai, China

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Specification

The 2-(Hexadecanoyloxy)propionic acid, monoester with glycerol, with the CAS registry number of 1335-49-5, is also known as Hexadecanoic acid, 1-carboxyethyl ester, monoester with 1,2,3-propanetriol. Its EINECS registry number is 215-636-6. Its molecular formula is C22H42O6 and molecular weight is 402.56528. What's more, its IUPAC name is [1-(2,3-Dihydroxypropoxy)-1-oxopropan-2-yl] hexadecanoate.

Physical properties about the 2-(Hexadecanoyloxy)propionic acid, monoester with glycerol are: (1)ACD/LogP: 6.61; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.61; (4)ACD/BCF (pH 5.5): 62514.94; (5)ACD/BCF (pH 7.4): 62514.8; (6)ACD/KOC (pH 5.5): 94307.44; (7)ACD/KOC (pH 7.4): 94307.23; (8)#H bond acceptors: 6; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 23; (11)Polar Surface Area: 71.06 Å2; (12)Index of Refraction: 1.472; (13)Molar Refractivity: 110.5 cm3; (14)Molar Volume: 394.4 cm3; (15)Surface Tension: 38.9 dyne/cm; (16)Density: 1.02 g/cm3; (17)Flash Point: 165 °C; (18)Enthalpy of Vaporization: 91.04 kJ/mol; (19)Boiling Point: 518.5 °C at 760 mmHg; (20)Vapour Pressure: 6.41E-13 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC(O)CO)C(OC(=O)CCCCCCCCCCCCCCC)C
(2) InChI: InChI=1/C22H42O6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21(25)28-19(2)22(26)27-18-20(24)17-23/h19-20,23-24H,3-18H2,1-2H3
(3) InChIKey: DCOCIAQCXDPXPG-UHFFFAOYAJ