10-Undecyn-1-ol

HCID 76015CAS 2774-84-7

Substructure search Find similar structures

Basic information

Standard SMILES: C#CCCCCCCCCCO
InChIKey: YUQZOUNRPZBQJK-UHFFFAOYSA-N
Molecular formula: C11H20O
Average molar mass: 168.28 g/mol
Monoisotopic mass: 168.15141526

Overview

10-undecyn-1-ol has been reported in Perilla frutescens, Kaempferia galanga, and Azadirachta indica with data available.

Names & identifiers

Preferred name: 10-Undecyn-1-ol
IUPAC: undec-10-yn-1-ol
English name: 10-UNDECYN-1-OL
Molecular formula: C11H20O
Molecular weight: 168.28

Names & synonyms

10-Undecyn-1-olundec-10-yn-1-ol2774-84-7DTXSID0062638RefChem:77653DTXCID1037725807-583-8MFCD0004167511-hydroxyundecyneSCHEMBL128978AKOS005137924AT18750

Show more names

Undecynol10-UNDECY-1-OL1-Undecyn-11-ol10-Undecyn-1-ol,96%10-UNDECYN-1-OL 96%TIMTEC-BB SBB00900811-Hydroxy-1-undecyne8-chloro-3-cyclohexylimino-N,5-diphenyl-2-phenazinamine

FS-4978SY05002310-Undecyn-1-ol, >=95.0% (GC)CS-0129050U005510-undecynolAMY2562610-undecyne-1-ol

Database identifiers

CAS: 2774-84-7
PubChem CID: 76015
DTXSID: DTXSID0062638
EC Number: 807-583-8
Nikkaji: J209.071F

Properties

Computed structural properties

XLogP: 4.3
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 8
Heavy atoms: 12
Formal charge: 0
Complexity: 120

Experimental & physicochemical properties

SpringerMaterials PropertiesDensity

Physicochemical properties

Melting point: 10.3 °C · 10.3°C (estimate)
Boiling point: 111 · 111-112°C 4mm
Density: 0.877 g/mL · 0.877 g/mL at 20 °C(lit.)
refractive index: 20 · n20/D 1.457
Flash point: 110 · 110-111°C/4mm
storage temp.: Inert atmosphere,Room Temperature
form: clear liquid
pka: 15.2 · 15.20±0.10(Predicted)
color: Colorless to Light yellow to Light orange
Water Solubility: Immiscible with water.
BRN: 1702764 · 1702764
InChI: 1S/C11H20O/c1-2-3-4-5-6-7-8-9-10-11-12/h1,12H,3-11H2
InChIKey: YUQZOUNRPZBQJK-UHFFFAOYSA-N
SMILES: OCCCCCCCCCC#C
CAS DataBase Reference: 2774 · 2774-84-7(CAS DataBase Reference)
EPA Substance Registry System: 10 · 10-Undecyn-1-ol (2774-84-7)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
PPE: Eyeshields, Gloves
Safety Statements: 23 · 23-24/25
WGK Germany: 3 · 3
F: 10 · 10-23
TSCA: TSCA listed
HS Code: 29052900 · 29052900
Storage Class: 10 · 10 - Combustible liquids

Safety & regulation

GHS classification

GHS ClassificationNot Classified

Hazard information

Hazard Classes and CategoriesNot Classified

Safety data

F: 10-23
PPE: Eyeshields, Gloves
wgk: 3
tsca: TSCA listed
hs_code: 29052900
safety_code: 23-24/25
Storage Class: 10 - Combustible liquids

Chemistry & industry

Uses & manufacturing

General Manufacturing Information10-Undecyn-1-ol: ACTIVE

Applications · 2 items

Uses10-Undecyn-1-ol is an acetylenic alcohol with antifungal activity. 10-Undecyn-1-ol is used in the esterification of pentanoic and stearic acids in the presence of various lipase.

Uses10-Undecyn-1-ol exhibits an antifungal activity. It is also used in the esterification of pentanoic and stearic acids in the presence of lipase. It is also employed as a reagent in the preparation of 11-bromo-undec-1-yne by reacting with carbon tetrabromide and triphenylphosphine. Further, it acts as an intermediate in synthetic chemistry. In addition to this, it serves as a precursor in organic synthesis.