Guidechem | China Chemical Manufacturers,suppliers,B2B Marketplace
Encyclop..
  • Products
  • Encyclopedia
  • Buy offers
  • Suppliers
Home> Encyclopedia >   /  Food Additives  /  Herbal Extract  /  Pharmaceutical Intermediates  /  Organic Intermediate  /  Pharmaceuticals and Biochemicals
Cyclohexyldiethylammonium octadecyl sulphate structure
Cyclohexyldiethylammonium octadecyl sulphate structure

Cyclohexyldiethylammonium octadecyl sulphate

Iupac Name:2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;dihydrate
CAS No.:6151-25-3
Molecular Weight:338.268
1. Names and Identifiers
1.1 Name
Cyclohexyldiethylammonium octadecyl sulphate
1.2 Synonyms

65151-82-8 Cyclohexyldiethylammonium octadecyl sulphate DTXSID7070262 EINECS 265-556-0 Octadecyl sulfate (1:1), N,N-diethylcyclohexylamine salt Sulfuric acid, monooctadecyl ester, compd. with N,N-diethylcyclohexanamine (1:1)

1.3 CAS No.
6151-25-3
1.4 CID
5284452
1.5 Inchi
InChI=1S/C15H10O7.2H2O/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6;;/h1-5,16-19,21H;2*1H2
1.6 InChkey
GMGIWEZSKCNYSW-UHFFFAOYSA-N
1.7 Canonical Smiles
C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O.O.O
1.8 Isomers Smiles
C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O.O.O
2. 3D Conformer
3. Properties
3.1 Melting Point
300℃
3.2 Boiling Point
642.5°Cat760mmHg
3.3 Flash Point
673°C
4. Safety and Handling
4.1 Risk Statements
R25
4.2 Safety Statements
S45
4.3 HazardClass
6.1
4.4 Hazard Note
H301
4.5 PackingGroup
III
4.6 Transport
UN 2811
5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H301 Toxic if swallowed

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

Response

P301+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/\u2026

P321 Specific treatment (see ... on this label).

P330 Rinse mouth.

Storage

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

6. Computational chemical data
  • Molecular Weight:338.268g/mol
  • Molecular Formula:
  • Compound Is Canonicalized:True
  • Exact Mass:338.064
  • Monoisotopic Mass:338.064
  • Complexity:488
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:7
  • Hydrogen Bond Acceptor Count:9
  • Topological Polar Surface Area:129A^2
  • Heavy Atom Count:24
  • 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:3
  • CACTVS Substructure Key Fingerprint: AAADccBwPAAAAAAAAAAAAAAAAAAAAAAAAAAwYIAAAAAAAACBQAAAGgAACAAADASAmAAwBoAABgCI AqBSAAICCAAkIAAIiAFGiMgNJzaGNRqCeWGl4BUJuQfI7LzOIAABCAAIQABAAAIQABCAAAAAAAAA AA==
7. Similar Structures Products
8. Recommended Suppliers
Global231SuppliersView all >>
  • Products:Cosmetic Raw Materials,solvents,etc.
  • Tel:86-311-66562153
  • Email:breeduan@crovellbio.com
Factory Supply Quercetin dihydrate CAS 6151-25-3
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/Kilogram
  • Time: 2021/08/09
Inquire
  • Products:Manufacture & Supply Biopharm Chemical, Specialty Chemical, PetroChemical.
  • Tel:86-592-8883942
  • Email:sale@amitychem.com
Factory Supply Quercetin Dihydrate
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 0.1 USD/Kilogram
  • Time: 2021/03/09
Inquire
  • Products:Veterinary products,Nutrition products,Agrochemicals,Active pharmaceutical Ingredients,Custom systhesis,Contract manufacturing
  • Tel:86-571-85829152
  • Email:market@royalpharms.com
Quercetin dihydrate
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 100 USD/Kilogram
  • Time: 2019/12/06
Inquire
  • Products:o-Phthalaldehyde, Methoxyammonium chloride
  • Tel:86-592-5360779
  • Email:sales@luyunjiachem.com
quercetin dihydrate
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2021/04/25
Inquire
  • Products:Pharmaceutical intermediates Pesticide intermediates Food Additives Custom synthesis
  • Tel:+86-311-85355123
  • Email:zhuangkai@zk-chem.com
Quercetin dihydrate
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2021/03/02
Inquire