10-Undecynoic acid

HCID 31039
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Basic information

CAS
2777-65-3
Standard SMILES
C#CCCCCCCCCC(=O)O
InChIKey
OAOUTNMJEFWJPO-UHFFFAOYSA-N
Molecular formula
C11H18O2
Average molar mass
182.26 g/mol
Monoisotopic mass
182.13067982

Overview

10-undecynoic acid is a medium-chain fatty acid.

Names & identifiers

Preferred name
10-Undecynoic acid
IUPAC
undec-10-ynoic acid
English name
10-Undecynoic acid
Molecular formula
C11H18O2
Molecular weight
182.26

Names & synonyms

10-Undecynoic acid2777-65-32F79G7H1WYDTXSID2075219RefChem:77654DTXCID5037731220-471-8Undec-10-ynoic acidHendecynoic acidUNII-2F79G7H1WYMFCD00014389BRN 1704918
Show more names
10-undecynoate10-cyanic acidundec-10-ynoicaciTIMTEC-BB SBB00848310-Undecynoic acid 95%LABOTEST-BB LT00233091
EINECS 220-471-8Undec-1-yn-11-oic acid10-HENDECYNOIC ACIDSCHEMBL40510CHEBI:1850544-02-00-01738 (Beilstein Handbook Reference)LMFA01030618AKOS001592014

Database identifiers

CAS
2777-65-3
PubChem CID
31039
DTXSID
DTXSID2075219
ChEBI
CHEBI:185054
UNII
2F79G7H1WY
EC Number
220-471-8
Nikkaji
J21.742E

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
37.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
8
Heavy atoms
13

Experimental & physicochemical properties

LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Unsaturated fatty acids [FA0103]

Physicochemical properties

Melting point
40 · 40-42 °C (lit.)
Boiling point
180 °C/15 · 180 °C/15 mmHg (lit.)
Density
0.9898 · 0.9898 (rough estimate)
refractive index
1.4066 · 1.4066 (estimate)
Flash point
230 °F · >230 °F
storage temp.
Refrigerator

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

F
10-23
PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
rtecs
YQ3683000
hs_code
29161900
Toxicity
mouse,LD50,intravenous,32mg/kg (32mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#07969,

Chemistry & industry

Applications · 3 items

Uses10-Undecynoic Acid is a fatty acid used in the synthesis of copolyesters.

Uses10-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.

General Description10-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.

Upstream & downstream products

Suppliers88 total

上海康恩博医药科技有限公司17510465506 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
宁波君龙新材料有限公司0574 88552216 19032109277 · [email protected]
湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]

Additional notes

DefinitionChEBI: 10-undecynoic acid is a medium-chain fatty acid.

Related reactions

8 records
New reaction record

Compound notes

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