10-Undecyn-1-ol
Basic information
- CAS
2774-84-7- 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 Ų
- 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
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
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
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.
Upstream & downstream products
Downstream products
Related reactions
14 records
Compound notes
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