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60658-40-4

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Basic Information
CAS No.: 60658-40-4
Name: DODECANOIC-D23 ACID
Molecular Structure:
Molecular Structure of 60658-40-4 (DODECANOIC-D23 ACID)
Formula: C12HD23O2
Molecular Weight: 207.128
Synonyms: DODECANOIC-D23 ACID;LAURIC-D23 ACID;LAURIC ACID (D23);UNDECANOIC-D21 ACID;UNDECANOIC-D23 ACID
Melting Point: 44-46 °C(lit.)
Boiling Point: 296.1 °C at 760 mmHg
Flash Point: 134.1 °C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-28
PSA: 37.30000
LogP: 3.60180
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Specification

The Dodecanoic-d23 acid is an organic compound with the formula C12HD23O2. The systematic name of this chemical is (2H23)dodecanoic acid. With the CAS registry number 60658-40-4, it is also named as Lauric-d23 acid.

Physical properties about Dodecanoic-d23 acid are: (1)ACD/LogP: 5.03; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.23; (4)ACD/LogD (pH 7.4): 2.44; (5)ACD/BCF (pH 5.5): 627.67; (6)ACD/BCF (pH 7.4): 10.08; (7)ACD/KOC (pH 5.5): 2082.83; (8)ACD/KOC (pH 7.4): 33.43; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.447; (14)Molar Refractivity: 59.2 cm3; (15)Molar Volume: 221.2 cm3; (16)Polarizability: 23.47×10-24cm3; (17)Surface Tension: 33.2 dyne/cm; (18)Density: 1.01 g/cm3; (19)Flash Point: 134.1 °C; (20)Enthalpy of Vaporization: 56.59 kJ/mol; (21)Boiling Point: 296.1 °C at 760 mmHg; (22)Vapour Pressure: 0.000661 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer). 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])[2H]
(2)InChI: InChI=1/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2
(3)InChIKey: POULHZVOKOAJMA-SJTGVFOPEU
(4)Std. InChI: InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2
(5)Std. InChIKey: POULHZVOKOAJMA-SJTGVFOPSA-N