Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

Hexadecanoic-d31 acid

Related Products

Hot Products

Name

Hexadecanoic-d31 acid

EINECS N/A
CAS No. 39756-30-4 Density 1.001 g/cm3
PSA 37.30000 LogP 5.55230
Solubility N/A Melting Point 61-64 °C(lit.)
Formula C16HD31O2 Boiling Point 340.6 °C at 760 mmHg
Molecular Weight 287.62 Flash Point 154.1 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 39756-30-4 (Hexadecanoic-d31 acid) Hazard Symbols IrritantXi
Synonyms

HEXADECANOIC-D31 ACID;HEXADECANOIC-D ACID;PALMITIC-D 31 ACID;PALMITIC ACID (D31);PALMITIC-D31 ACID, 98 ATOM % D;hexadecanoic-d=;Hexadecanoic Acid-D31

Article Data 3

Hexadecanoic-d31 acid Specification

The Hexadecanoic-d31 acid is an organic compound with the formula C16HD31O2. The systematic name of this chemical is (~2~H_31_)hexadecanoic acid. With the CAS registry number 39756-30-4, it is also named as Palmitic acid-d31.

Physical properties about Hexadecanoic-d31 acid are: (1)ACD/LogP: 7.15; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.36; (4)ACD/LogD (pH 7.4): 4.56; (5)ACD/BCF (pH 5.5): 25738.91; (6)ACD/BCF (pH 7.4): 412.92; (7)ACD/KOC (pH 5.5): 29677.7; (8)ACD/KOC (pH 7.4): 476.11; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 14; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.453; (14)Molar Refractivity: 77.73 cm3; (15)Molar Volume: 287.2 cm3; (16)Polarizability: 30.81×10-24cm3; (17)Surface Tension: 33.3 dyne/cm; (18)Density: 1.001 g/cm3; (19)Flash Point: 154.1 °C; (20)Enthalpy of Vaporization: 61.66 kJ/mol; (21)Boiling Point: 340.6 °C at 760 mmHg; (22)Vapour Pressure: 3.28E-05 mmHg at 25°C.

Uses of Hexadecanoic-d31 acid: it can be used to produce hentriaconta-C-deuterio-hexadecanoic acid methyl ester by heating. It will need reagent HCl with reaction time of 1 hour. The yield is about 92%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: [2H]C([2H])(C([2H])([2H])C(=O)O)C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H] )[2H]
(2)InChI: InChI=1/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D2,14D2,15D2
(3)InChIKey: IPCSVZSSVZVIGE-SAQPIRCFEK
(4)Std. InChI: InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D2,14D2,15D2
(5)Std. InChIKey: IPCSVZSSVZVIGE-SAQPIRCFSA-N

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 39756-30-4