Products Categories
| CAS No.: | 2777-65-3 |
|---|---|
| Name: | 10-Undecynoic acid |
| Article Data: | 30 |
| Molecular Structure: | |
|
|
|
| Formula: | C11H18O2 |
| Molecular Weight: | 182.263 |
| Synonyms: | 10-Hendecynoicacid (4CI);QV9UU1;Undec-10-ynoic acid;Undecynoicacid;Hendecynoic acid;BRN 1704918; |
| EINECS: | 220-471-8 |
| Density: | 0.966 g/cm3 |
| Melting Point: | 40-42 °C(lit.) |
| Boiling Point: | 1297.7 °C at 760 mmHg |
| Flash Point: | 142.9 °C |
| Solubility: | Sparingly Soluble in water. |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 37.30000 |
| LogP: | 2.82500 |
- 483366-12-7(2S,4R)-1-Boc-2-cyano-4-hydroxypyrrolidine
- 361456-36-2METHYL (R)-(+)-ISOCYANATO-3-PHENYLPROPI&
- 5156-58-1N-(1-Benzyl-4-pipperidinyl)-N-phenylpropanamide HCl
- 81281-59-67-Benzylideneaminotheophylline
- 50288-62-5threo-Phenyl-2-piperidyl acetamide
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 47087-37-6Z-D-Glu-OMe
- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 68439-39-4Poly(oxy-1,2-ethanediyl), alpha-(2-ethylhexyl)-omega-hydroxy-,
- 852475-26-4MC1568
What can I do for you?
Get Best Price
Specification
The 10-Undecynoic acid, with the CAS registry number 2777-65-3, is also known as 10-Hendecynoicacid (4CI). It belongs to the product categories of Acetylenes; Acetylenic Carboxylic Acids & Their Derivatives; Diyne Compounds (LB Films); Functional Materials; LB Films; C11 to C12; Carbonyl Compounds; Carboxylic Acids. Its EINECS number is 220-471-8. This chemical's molecular formula is C11H18O2 and formula weight is 182.26. What's more, its IUPAC name is undec-10-ynoic acid.
Physical properties of 10-Undecynoic acid are: (1)ACD/LogP: 3.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.35; (4)ACD/LogD (pH 7.4): 0.55; (5)ACD/BCF (pH 5.5): 23.01; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 194.81; (8)ACD/KOC (pH 7.4): 3.12; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.468; (14)Molar Refractivity: 52.4 cm3; (15)Molar Volume: 188.5 cm3; (16)Surface Tension: 38.8 dyne/cm; (17)Density: 0.966 g/cm3; (18)Flash Point: 142.9 °C; (19)Enthalpy of Vaporization: 59.14 kJ/mol; (20)Boiling Point: 297.7 °C at 760 mmHg; (21)Vapour Pressure: 0.000317 mmHg at 25°C.
Preparation: this chemical can be prepared by 10,11-dibromo-undecanoic acid by heating. This reaction will need reagent NaOH and solvent 1,2-dimethoxy-ethane with the reaction time of 12 hours. This reaction will also need catalyst 1,2-dimethoxy-ethane. The yield is about 81%.
Uses of 10-Undecynoic acid: it can be used to produce undec-10-yn-1-ol by heating. It will need reagent LAH and solvent diethyl ether with the reaction time of 4 hours. The yield is about 84%.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C#CCCCCCCCCC(=O)O
(2)InChI: InChI=1S/C11H18O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h1H,3-10H2,(H,12,13)
(3)InChIKey: OAOUTNMJEFWJPO-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intravenous | 32mg/kg (32mg/kg) | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#07969. |