Guidechem | China Chemical Manufacturers,suppliers,B2B Marketplace
Encyclop..
  • Products
  • Encyclopedia
  • Buy offers
  • Suppliers
Home> Encyclopedia >   /  Alcohol & Hydroxybenzene & Ether  /  Pharmaceutical Intermediates  /  Organic Intermediate  /  Others  /  Other Chemicals
2-Cyclohexen-1-one, 3-(11-hydroxyundecyl)- structure
2-Cyclohexen-1-one, 3-(11-hydroxyundecyl)- structure

2-Cyclohexen-1-one, 3-(11-hydroxyundecyl)-

Iupac Name:2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CAS No.:112-27-6
Molecular Weight:150.17
1. Names and Identifiers
1.1 Name
2-Cyclohexen-1-one, 3-(11-hydroxyundecyl)-
1.2 Synonyms

210886-25-2 2-Cyclohexen-1-one, 3-(11-hydroxyundecyl)- 3-(11-hydroxyundecyl)cyclohex-2-en-1-one CTK0J8026 DTXSID60445817

1.3 CAS No.
112-27-6
1.4 CID
8172
1.5 Molecular Formula
C8H9O2P (isomer)
1.6 Inchi
InChI=1S/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2
1.7 InChkey
ZIBGPFATKBEMQZ-UHFFFAOYSA-N
1.8 Canonical Smiles
C(COCCOCCO)O
1.9 Isomers Smiles
C(COCCOCCO)O
2. 3D Conformer
3. Properties
3.1 Melting Point
−7 °C(lit.)
3.2 Vapour
<0.01 mm Hg ( 20 °C)
3.3 Refractive Index
n20/D 1.455(lit.)
4. Safety and Handling
4.1 Risk Statements
36/37/38
4.2 Safety Statements
26-36
4.3 PackingGroup
Z01
4.4 Transport
225kgs
5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

6. Computational chemical data
  • Molecular Weight:150.17g/mol
  • Molecular Formula:C8H9O2P
  • Compound Is Canonicalized:True
  • XLogP3-AA:_1.6
  • Exact Mass:150.089
  • Monoisotopic Mass:150.089
  • Complexity:49.7
  • Rotatable Bond Count:7
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:58.9A^2
  • Heavy Atom Count:10
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBgOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAAAACggAIAAAAABgAA AAAAAAAAAAAAAAAAAAAAAAABEAAAAAACAAAAAAADAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
8. Recommended Suppliers
Global325SuppliersView all >>
  • Products:Cosmetic Raw Materials,solvents,etc.
  • Tel:86-311-66562153
  • Email:breeduan@crovellbio.com
  • Products:Division I, the main production Lead acetate phenylacetamide Cyromazine quality is very good!
  • Tel:86-311-66561638
  • Email:xing@yan-xi.com
Triethylene glycolCAS NO.: 112-27-6
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 3600 USD/Metric Ton
  • Time: 2021/01/29
Inquire
  • Products:Pharmaceutical raw materials,Chemical reagent, Food aditives,Plant ExtracPharmaceutical and pesticide intermediates.
  • Tel:86-431-81915458
  • Email:cathytan@jltely.com
2,2'-(Ethylenedioxy)diethanol
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/Kilogram
  • Time: 2020/11/27
Inquire
  • Products:Manufacture & Supply Biopharm Chemical, Specialty Chemical, PetroChemical.
  • Tel:86-592-8883942
  • Email:sale@amitychem.com
Factory Supply 2,2'-(Ethylenedioxy)Diethanol
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 0.1 USD/Kilogram
  • Time: 2021/03/09
Inquire
  • Products:Chemical products
  • Tel:86-571-88938639
  • Email:sales-gc@chinadayangchem.com
Triethylene glycol
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/Kilogram
  • Time: 2019/12/20
Inquire