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CAS No.: | 505-54-4 |
---|---|
Name: | Hexadecanedioic acid |
Article Data: | 43 |
Molecular Structure: | |
Formula: | C16H30O4 |
Molecular Weight: | 286.412 |
Synonyms: | 1,14-Tetradecanedicarboxylicacid;1,16-Hexadecanedioic acid;NSC 15164;Thapsic acid;n-Tetradecane-w,w'-dicarboxylic acid; |
EINECS: | 208-013-5 |
Density: | 1.016 g/cm3 |
Melting Point: | 120-123 °C(lit.) |
Boiling Point: | 457.5 °C at 760 mmHg |
Flash Point: | 244.6 °C |
Solubility: | 5.098mg/L at 20℃ |
Appearance: | white powder |
Risk Codes: | 36/37/38 |
Safety: | 24/25 |
PSA: | 74.60000 |
LogP: | 4.61700 |
C24H38O8
thapsic acid
Conditions | Yield |
---|---|
With hydrogenchloride In water Heating; | 95% |
hexadec-8t-enedioic acid
thapsic acid
Conditions | Yield |
---|---|
With methanol; nickel Hydrogenation; | |
With acetic acid; platinum Hydrogenation; |
Conditions | Yield |
---|---|
Durch Verseifen und Erhitzen der erhaltenen Tetracarbonsaeure; |
Conditions | Yield |
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With chromium(VI) oxide; acetic acid | |
With chromium(VI) oxide | |
With chromium(VI) oxide; sulfuric acid In acetone |
hexadecanediamide
thapsic acid
Conditions | Yield |
---|---|
With potassium hydroxide |
5,12-dioxo-hexadecanedioic acid
thapsic acid
Conditions | Yield |
---|---|
With potassium hydroxide; hydrazine hydrate; diethylene glycol | |
With hydrogenchloride; amalgamated zinc; acetic acid |
7-semicarbazono-hexadecanedioic acid
thapsic acid
Conditions | Yield |
---|---|
With potassium hydroxide; hydrazine hydrate; diethylene glycol |
Conditions | Yield |
---|---|
With chromium(VI) oxide; acetic acid |
thapsic acid
Conditions | Yield |
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With sodium; hydrazine hydrate; ethylene glycol |
Conditions | Yield |
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(microbiological transformation); |
The Hexadecanedioic acid, with the CAS registry number 121570-10-3 and EINECS registry number 208-013-5, is a kind of white power, and belongs to the following product categories: alpha,omega-Alkanedicarboxylic Acids; alpha,omega-Bifunctional Alkanes; Monofunctional & alpha,omega-Bifunctional Alkanes. And the molecular formula of the chemical is C16H30O4.
The characteristics of this chemical are as followings: (1)ACD/LogP: 5.05; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.46; (4)ACD/LogD (pH 7.4): 0.43; (5)ACD/BCF (pH 5.5): 103.72; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 340.48; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 15; (12)Polar Surface Area: 52.6 Å2; (13)Index of Refraction: 1.474; (14)Molar Refractivity: 79.3 cm3; (15)Molar Volume: 281.8 cm3; (16)Polarizability: 31.43×10-24cm3; (17)Surface Tension: 40.7 dyne/cm; (18)Density: 1.016 g/cm3; (19)Flash Point: 244.6 °C; (20)Enthalpy of Vaporization: 78.65 kJ/mol; (21)Boiling Point: 457.5 °C at 760 mmHg; (22)Vapour Pressure: 1.22E-09 mmHg at 25°C.
Uses of Hexadecanedioic acid: It can be used to produce hexadecanedioyl chloride. This reaction will need reagent SOCl2, and the menstruum benzene. The reaction time is 2 hours with heating, and the yield is about 95%.
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better avoid contacting with skin and eyes .
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)CCCCCCCCCCCCCCC(=O)O
(2)InChI: InChI=1/C16H30O4/c17-15(18)13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(19)20/h1-14H2,(H,17,18)(H,19,20)
(3)InChIKey: QQHJDPROMQRDLA-UHFFFAOYAF