Basic information
- Name:
Decanoic acid,10-hydroxy-
- Superlist Name:
- 10-Hydroxydecanoic acid
- CAS No.:
1679-53-4
- Molecular Structure:
- Formula:
- C10H20O3
- Molecular Weight:
- 188.27
- Synonyms:
- 10-Hydroxydecanoicacid;NSC 15139;
- EINECS:
- 216-848-1
- Density:
- 1.013 g/cm3
- Melting Point:
- 75-77 °C(lit.)
- Boiling Point:
- 330.8 °C at 760 mmHg
- Flash Point:
- 168.1 °C
- Hazard Symbols:
Xi
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Specification
The 10-Hydroxydecanoic Acid, with the CAS registry number 1679-53-4, is a kind of crystalline. This chemical could be used to produce Rorifon with the function of depressing cough and reducing inspissated mucus, and it could be used in the synthesis of musk 105, 10-hydroxy-2-decenoic acid and could then be used in the cosmetics. Besides, it is irritant and may cause inflammation to the skin or other mucous membranes. In addition, it has the product categories which are including C10Fatty Acids; Carbonyl Compounds; Carboxylic Acids; Hydroxy fatty acids; Saturated fatty acids and derivatives.
The characteristics of this chemical are as below: (1)ACD/LogP: 1.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.16; (4)ACD/LogD (pH 7.4): -0.63; (5)ACD/BCF (pH 5.5): 2.9; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 44.26; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 35.53; (13)Index of Refraction: 1.466; (14)Molar Refractivity: 51.47 cm3; (15)Molar Volume: 185.7 cm3; (16)Polarizability: 20.4×10-24 cm3; (17)Surface Tension: 40.4 dyne/cm; (18)Density: 1.013 g/cm3; (19)Flash Point: 168.1 °C; (20)Enthalpy of Vaporization: 66.45 kJ/mol; (21)Boiling Point: 330.8 °C at 760 mmHg; (22)Vapour Pressure: 1.18E-05 mmHg at 25°C; (23)Exact Mass: 188.141245; (24)MonoIsotopic Mass: 188.141245; (25)Topological Polar Surface Area: 57.5; (26)Heavy Atom Count: 13; (27)Complexity: 123.
Use of this chemical: 10-Hydroxydecanoic Acid could react with methanol to produce 10-hydroxy-decanoic acid methyl ester. This reaction could happen in the presence of the reagent of concentrated sulfuric acid.
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Production method of this chemical: oxacycloundecan-2-one could react to produce 10-hydroxy-decanoic acid. This reaction could happen in the presence of the reagent of aq. NaOH with the yield of 99%.
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In adddition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: C(CCCCC(=O)O)CCCCO
(2)InChI: InChI=1S/C10H20O3/c11-9-7-5-3-1-2-4-6-8-10(12)13/h11H,1-9H2,(H,12,13)
(3)InChIKey: YJCJVMMDTBEITC-UHFFFAOYSA-N
