ChemicalBook--->CAS DataBase List--->2777-65-3

2777-65-3

2777-65-3 Structure

2777-65-3 Structure
IdentificationMore
[Name]

10-UNDECYNOIC ACID
[CAS]

2777-65-3
[Synonyms]

10-UNDECYNOIC ACID
LABOTEST-BB LT00233091
TIMTEC-BB SBB008483
Hendecynoic acid
Undec-1-yn-11-oic acid
undec-10-ynoic acid
[EINECS(EC#)]

220-471-8
[Molecular Formula]

C11H18O2
[MDL Number]

MFCD00014389
[Molecular Weight]

182.26
[MOL File]

2777-65-3.mol
Chemical PropertiesBack Directory
[Melting point ]

40-42 °C (lit.)
[Boiling point ]

180 °C/15 mmHg (lit.)
[density ]

0.9898 (rough estimate)
[refractive index ]

1.4066 (estimate)
[Fp ]

>230 °F
[storage temp. ]

Refrigerator
[solubility ]

Chloroform (Slightly), Ethyl Acetate (Slightly)
[form ]

Solid
[pka]

4.78±0.10(Predicted)
[color ]

Off-White
[Water Solubility ]

Sparingly Soluble in water.
[BRN ]

1704918
[InChI]

InChI=1S/C11H18O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h1H,3-10H2,(H,12,13)
[InChIKey]

OAOUTNMJEFWJPO-UHFFFAOYSA-N
[SMILES]

C(O)(=O)CCCCCCCCC#C
[CAS DataBase Reference]

2777-65-3(CAS DataBase Reference)
[EPA Substance Registry System]

10-Undecynoic acid (2777-65-3)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[RTECS ]

YQ3683000
[F ]

10-23
[HS Code ]

29161900
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
[Toxicity]

mouse,LD50,intravenous,32mg/kg (32mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#07969,
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Diethyl ether-->Sulfuric acid-->Chloroform-->Bromine-->Sodium sulfate-->Potassium hydroxide-->1,2-Dimethoxyethane-->Undecenoic acid
[Preparation Products]

11-Hydroxyundecanoic acid-->10,12-Tricosadiynoic acid-->16-Hydroxyhexadecanoic acid-->10,12-Pentacosadiynoic acid
Hazard InformationBack Directory
[Uses]

10-Undecynoic acid was employed as model compound to investigate the microwave assisted surface click reactions catalyzed with Cu(II)/sodium L-ascorbate.?
It may be used:
  • As a biochemical probe in an assay for the microsomal hydroxylation of lauric acid (LA), based on HPLC with flow-through radiochemical detection.
  • To form molecular layers by adsorbing on the fluorite surface.
  • In the supercritical hydrothermal synthesis of iron oxide nanoparticles.
[Uses]

10-Undecynoic Acid is a fatty acid used in the synthesis of copolyesters.
[Definition]

ChEBI: 10-undecynoic acid is a medium-chain fatty acid.
[Synthesis Reference(s)]

Organic Syntheses, Coll. Vol. 4, p. 969, 1963
Synthetic Communications, 21, p. 1941, 1991 DOI: 10.1080/00397919108021786
[General Description]

10-Undecynoic acid (10- UDYA, UDY) is an acetylenic fatty acid. It is reported as highly selective irreversible inhibitor of hepatic ω- and ω-1-lauric acid hydroxylases. Enzyme catalyzed esterification of 10-undecynoic acid has been reported. UDY has been reported to be synthesized by the dehydrobromination of 10-undecenoic acid.
Spectrum DetailBack Directory
[Spectrum Detail]

10-UNDECYNOIC ACID(2777-65-3)MS
10-UNDECYNOIC ACID(2777-65-3)1HNMR
10-UNDECYNOIC ACID(2777-65-3)13CNMR
10-UNDECYNOIC ACID(2777-65-3)IR1
10-UNDECYNOIC ACID(2777-65-3)IR2
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

10-Undecynoic acid, 96%(2777-65-3)
[Sigma Aldrich]

2777-65-3(sigmaaldrich)
[TCI AMERICA]

10-Undecynoic Acid,>95.0%(T)(2777-65-3)
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