Guidechem | China Chemical Manufacturers,suppliers,B2B Marketplace
Encyclop..
  • Products
  • Encyclopedia
  • Buy offers
  • Suppliers
Home> Encyclopedia >   /  Esters  /  Pharmaceutical Intermediates  /  Organic Intermediate  /  Essential oils and others  /  Custom Manufacturing
Cholest-5-ene-3,16,26-triol, (3β,16β,25R)- structure
Cholest-5-ene-3,16,26-triol, (3β,16β,25R)- structure

Cholest-5-ene-3,16,26-triol, (3β,16β,25R)-

Iupac Name:5-heptyloxolan-2-one
CAS No.:104-67-6
Molecular Weight:184.279
1. Names and Identifiers
1.1 Name
Cholest-5-ene-3,16,26-triol, (3β,16β,25R)-
1.2 Synonyms

(25R)-16β,26-Dihydroxycholesterol

1.3 CAS No.
104-67-6
1.4 CID
7714
1.5 Molecular Formula
C24H39O3P (isomer)
1.6 Inchi
InChI=1S/C11H20O2/c1-2-3-4-5-6-7-10-8-9-11(12)13-10/h10H,2-9H2,1H3
1.7 InChkey
PHXATPHONSXBIL-UHFFFAOYSA-N
1.8 Canonical Smiles
CCCCCCCC1CCC(=O)O1
1.9 Isomers Smiles
CCCCCCCC1CCC(=O)O1
2. Properties
3.1 Density
1.23±0.1 g/cm3(Predicted)
3.1 Melting point
164~166℃
3.1 Refractive index
1.449
3.1 Vapour pressure
0.00271mmHg at 25°C
3.1 Precise Quality
184.14600
3.1 PSA
26.30000
3.1 logP
3.05250
3.1 pKa
15.01±0.70(Predicted)
3. Safety and Handling
4.1 Symbol
GHS07
4.1 Signal Word
Warning
4.1 Risk Statements
R36/37/38
4.1 Safety Statements
26-36/37/39
4.1 Hazard Declaration
H315-H319-H335-H412
4.1 RIDADR
NONH for all modes of transport
4.1 Caution Statement
P261-P273-P305 + P351 + P338
4.1 WGK Germany
3
4.1 RTECS
YQ2485000
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 3

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

H412 Harmful to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P273 Avoid release to the environment.

Response

none

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

5. Other Information
5.0 Uses
(25R)-16β,26-Dihydroxycholesterol is an intermediate in the synthesis of (25R)-26-Hydroxy-cholest-4-en-3-one (H917940), which is an oxygenated sterol which has many important biological activities. (25R)-26-Hydroxy-cholest-4-en-3-one has been used as a reactant for the synthesis of other sterols.
6. Computational chemical data
  • Molecular Weight:184.279g/mol
  • Molecular Formula:C24H39O3P
  • Compound Is Canonicalized:True
  • XLogP3-AA:
  • Exact Mass:184.146329876
  • Monoisotopic Mass:184.146329876
  • Complexity:154
  • Rotatable Bond Count:6
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:26.3
  • Heavy Atom Count:13
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
7. Recommended Suppliers
Global160SuppliersView all >>
  • Products:Division I, the main production Lead acetate phenylacetamide Cyromazine quality is very good!
  • Tel:86-311-66561638
  • Email:xing@yan-xi.com
Undecan-4-olideCAS NO.: 104-67-6
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 4000 USD/kilogram
  • Time: 2022/05/23
Inquire
  • Products:Pharmaceutical raw materials,Chemical reagent, Food aditives,Plant ExtracPharmaceutical and pesticide intermediates.
  • Tel:86-431-81915458
  • Email:cathytan@jltely.com
Undecan-4-olide
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/kilogram
  • Time: 2022/05/23
Inquire
  • Products:Cosmetic Raw Materials,solvents,etc.
  • Tel:86-311-66562153
  • Email:breeduan@crovellbio.com
Undecan-4-olide CAS 104-67-6 with purity 99%
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 10 USD/kilogram
  • Time: 2022/05/05
Inquire
  • Products:Manufacture & Supply Biopharm Chemical, Specialty Chemical, PetroChemical.
  • Tel:86-592-8883942
  • Email:sale@amitychem.com
Factory Supply Peach aldehyde
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 0.1 USD/kilogram
  • Time: 2022/03/06
Inquire
  • Products:Chemical products
  • Tel:86-571-88938639
  • Email:sales-gc@chinadayangchem.com
gamma-Undecalactone
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 2 USD/kilogram
  • Time: 2022/04/28
Inquire