Guidechem | China Chemical Manufacturers,suppliers,B2B Marketplace
Encyclop..
  • Products
  • Encyclopedia
  • Buy offers
  • Suppliers
Home> Encyclopedia >   /  Urinary System Agents  /  Food Additives  /  Pharmaceutical Intermediates  /  Organic Intermediate  /  Pharmaceutical
Benzoic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-, phenylmethylester structure
Benzoic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-, phenylmethylester structure

Benzoic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-, phenylmethylester

Iupac Name:(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol
CAS No.:98201-93-5
Molecular Weight:182.17
1. Names and Identifiers
1.1 Name
Benzoic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-, phenylmethylester
1.2 CAS No.
98201-93-5
1.3 CID
5780
1.4 Molecular Formula
C14H26O3Si (isomer)
1.5 Inchi
InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5-,6-/m1/s1
1.6 InChkey
FBPFZTCFMRRESA-JGWLITMVSA-N
1.7 Canonical Smiles
C(C(C(C(C(CO)O)O)O)O)O
1.8 Isomers Smiles
C([C@H]([C@H]([C@@H]([C@H](CO)O)O)O)O)O
2. Properties
3.1 Melting Point
95-99℃
3.2 Vapour
9.9X10-9 mm Hg at 25 °C (est)
3.3 Refractive Index
1.597
3.4 Alpha
4 º (per eur. pharm.)
3. Safety and Handling
4.1 Risk Statements
36/37/38
4.2 Safety Statements
S8
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

5. Computational chemical data
  • Molecular Weight:182.17g/mol
  • Molecular Formula:C14H26O3Si
  • Compound Is Canonicalized:True
  • XLogP3-AA:
  • Exact Mass:182.07903816
  • Monoisotopic Mass:182.07903816
  • Complexity:105
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:6
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:121
  • Heavy Atom Count:12
  • Defined Atom Stereocenter Count:4
  • 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
Global106SuppliersView all >>
  • Products:Chemical products
  • Tel:86-571-88938639
  • Email:sales-gc@chinadayangchem.com
D-Sorbitol
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 2 USD/Kilogram
  • Time: 2019/12/20
Inquire
  • Products:o-Phthalaldehyde, Methoxyammonium chloride. DMSO, NMP,
  • Tel:86-592-5360779
  • Email:sales@luyunjiachem.com
D-Sorbitol
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2021/04/25
Inquire
  • Products:Pharmaceutical Intermediate; Pharmaceutical Raw Materials; Raw Steroid Powders; Raw Hormone Powders; etc
  • Tel:86-27-83214668
D-Sorbitol
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/Gram
  • Time: 2019/03/26
Inquire
  • Products:DMMP,TCPP,TEP
  • Tel:86-371-86181678
Food grade 99% powder Sorbitol
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/Metric Ton
  • Time: 2019/02/22
Inquire
  • Products:Anabolic Steroid Hormone Powder, Muscle Building Steroids, Oral Anabolic Steroids, Injectable Anabolic Steroids, Pharmaceutical Raw Materials, Food Additives, Flavor&,Fragrance
  • Tel:86-27-68886732
High Quality Sorbitol ; CAS: 98201-93-5
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 10 USD/Kilogram
  • Time: 2016/09/21
Inquire