Guidechem | China Chemical Manufacturers,suppliers,B2B Marketplace
Encyclop..
  • Products
  • Encyclopedia
  • Buy offers
  • Suppliers
Home> Encyclopedia >   /  Vitamins, Amino Acids and Coenzymes  /  Food Additives  /  Organic Intermediate  /  Pharmaceutical Intermediates  /  Sweeteners
Bicyclo[2.2.1]hepta-2,5-diene-2-methanol structure
Bicyclo[2.2.1]hepta-2,5-diene-2-methanol structure

Bicyclo[2.2.1]hepta-2,5-diene-2-methanol

Iupac Name:(2R,3S,4R,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol
CAS No.:57-48-7
Molecular Weight:180.156
1. Names and Identifiers
1.1 Name
Bicyclo[2.2.1]hepta-2,5-diene-2-methanol
1.2 Synonyms

(2-norbornadienyl)methanol 2-(hydroxymethyl)norbornadiene 2-hydroxymethylnorbornadiene 2-Methylol-bicyclo[2.2.1]-2,5-heptadien 2-Norbornadienylcarbinol 2-norbornadienylmethanol

1.3 CAS No.
57-48-7
1.4 CID
5984
1.5 Molecular Formula
C10H16CuO6S2 (isomer)
1.6 Inchi
InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5-,6-/m1/s1
1.7 InChkey
BJHIKXHVCXFQLS-UYFOZJQFSA-N
1.8 Canonical Smiles
C(C(C(C(C(=O)CO)O)O)O)O
1.9 Isomers Smiles
C([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)O
2. Properties
3.1 Melting point
100 - 110oC
3.1 Boiling point
216.0±40.0 °C(Predicted)
3.1 Refractive index
1.5101 (108 C)
3.1 Precise Quality
180.06300
3.1 PSA
110.38000
3.1 logP
-3.21980
3.1 pKa
14.71±0.10(Predicted)
3. Safety and Handling
4.1 Risk Statements
34
4.1 Safety Statements
S24/25
4.1 RIDADR
White Cyrstalline Solid
4.1 WGK Germany
3
4.1 RTECS
LS7120000
4. 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

5. Computational chemical data
  • Molecular Weight:180.156g/mol
  • Molecular Formula:C10H16CuO6S2
  • Compound Is Canonicalized:True
  • XLogP3-AA:_3.2
  • Exact Mass:180.06338810
  • Monoisotopic Mass:180.06338810
  • Complexity:147
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:5
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:118
  • Heavy Atom Count:12
  • Defined Atom Stereocenter Count:3
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
6. Recommended Suppliers
Global270SuppliersView all >>
  • Products:API
  • Tel:0086-27-59207850
  • Email:info@fortunachem.com
Manufacturer supply D-Fructose CAS 57-48-7 of pharma grade and food grade
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 10 USD/kilogram
  • Time: 2022/05/20
Inquire
  • Products:Pharmaceutical raw materials,Chemical reagent, Food aditives,Plant ExtracPharmaceutical and pesticide intermediates.
  • Tel:86-431-81915458
  • Email:cathytan@jltely.com
D(-)-Fructose
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/1
  • Time: 2022/05/20
Inquire
  • Products:Organic intermediates, Organic solvents,Cosmetic raw materials ...
  • Tel:00-86-15176962104
  • Email:Alice@hbzebo.com
Factory Supply D(-)-Fructose cas 57-48-7
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 10 USD/kg
  • Time: 2022/05/20
Inquire
  • Products:xylazine hcl,phenacetin,4-Methylpropiophenone,(2-Bromoethyl)benzene,4-Methoxybenzoyl chloride
  • Tel:86-311-17798046959
  • Email:grace@hbyingong.com
Sweeteners Food Additives Top Quality Food Grade Fructose Powder CAS 57-48-7
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 10 USD/kilogram
  • Time: 2022/05/18
Inquire
  • Products:Cosmetic Raw Materials,solvents,etc.
  • Tel:86-311-66562153
  • Email:breeduan@crovellbio.com
Wholesale Cheap Fructose Price 98.0%-102.0% CAS 57-48-7
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 15 USD/kilogram
  • Time: 2022/05/05
Inquire