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Home> Encyclopedia > Hot Product Listed 1   > 1,3-Dioxolane-4,5-dimethanol,2,2-dimethyl-, (4S,5S)-
50622-09-8 structure

1,3-Dioxolane-4,5-dimethanol,2,2-dimethyl-, (4S,5S)-

Iupac Name:[(4S,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CAS No.:50622-09-8
EINECS(EC#): 256-658-6
Molecular Weight:162.185
Molecular Formula:C7H14O4 (isomer)
Names and Identifiers
Synonyms

(+)-2,3,o-isopropylidene-l-threitol (+)-2,3-o-isopropylidene-l-threitol (4s,5s)-(+)-2,2-dimethyl-1,3-dioxolane-4,5-dimethanol (4s,5s)-(+)-4,5-bis(hydroxymethyl)-2,2-dimethyl-1,3-dioxolane (4s,5s)-2,2-dimethyl-1,3-dioxolane-4,5-dimethanol, >=97.0% (sum of enantiomers, gc) (4S,5S)-4,5-Bis(hydroxymethyl)-2,2-dimethyl-1,3-dioxolane [(4s,5s)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol 1,3-dioxolane-4,5-dimethanol, 2,2-dimethyl-, (4s,5s)- 1,3-Dioxolane-4,5-dimethanol,2,2-dimethyl-, (4S-trans)- 2,3-o-isopropylidene-l-threitol 2,3-o-isoproylidene-l-threitol 2-o,3-o-isopropylidene-l-threitol AC1LFX3Q AC1Q77R3 AJ-18805 AK158301 I0376 I14-11962 INVRLGIKFANLFP-WDSKDSINSA-N mfcd00063761 MOLPORT-003-937-588 SCHEMBL292538 ST50307152 ZB010130 ZINC281673

Inchi
InChI=1S/C7H14O4/c1-7(2)10-5(3-8)6(4-9)11-7/h5-6,8-9H,3-4H2,1-2H3/t5-,6-/m0/s1
InChkey
INVRLGIKFANLFP-WDSKDSINSA-N
Canonical Smiles
CC1(OC(C(O1)CO)CO)C
Properties
Appearance
White powder.
Density
1.15 (20 C)
Melting Point
47-51℃
Boiling Point
92-94 °C0.1 mm Hg(lit.)
Refractive Index
3.9 ° (C=5, Acetone)
Flash Point
>110°C
Alpha
3.1 º (C=5, ETOH 24 ºC)
Solubility
soluble
Stability
Stable under normal temperatures and pressures.
HS Code
29329970
Storage temp
0-6°C
Safety and Handling
Safety Statements
S22;S24/25
Safety

Safety Statements: 22-24/25 
S22: Do not breathe dust
S24/25: Avoid contact with skin and eyes
WGK Germany: 3
F: 3-10 
F3: HygroscopiC
F10: Keep under argon
HS Code: 29329970

Sensitive
Hygroscopic
Specification

 1,3-Dioxolane-4,5-dimethanol,2,2-dimethyl-, (4S,5S)- (CAS NO.50622-09-8) is also called as EINECS 256-658-6 ; L(+)-2,2-dimethyl-1,3-dioxolane-4,5-dimethanol ; (+)-2,3-O-isopropylidene-l-threitol ; 2,3-O-isopropylidene-l-threitol ; (4S-trans)-2,2-dimethyl-1,3-dioxolane-4,5-dimethanol ; (4S,5S)-(+)-2,2-dimethyl-1,3-dioxolane-4,5-dimethanol ; (4S,5S)-2,2-dimethyl-1,3-dioxolane-4,5-dimethanol ; (4S,5S)-(+)-4,5-bis(hydroxymethyl)-2,2-dimethyl-1,3-dioxolane ; (4S,5S)-4,5-bis(hydroxymethyl)-2,2-dimethyl-1,3-dioxolane .

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

Precursor and Product
Computational chemical data
  • Molecular Weight:162.185g/mol
  • Molecular Formula:C7H14O4
  • Compound Is Canonicalized:True
  • Exact Mass:162.089
  • Monoisotopic Mass:162.089
  • Complexity:120
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:58.9A^2
  • Heavy Atom Count:11
  • Defined Atom Stereocenter Count:2
  • 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: AAADccBgOAAAAAAAAAAAAAAAAAAAASAAAAAAAAAAAAAAAAAAAAAAGgAACAAACBSggAICCAAABgAA AAAAAAAAAAAAAAAAAAAAAAAREAAAAAAiQAAFAAAHAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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Recommended Suppliers
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-755-33239182
  • Fax:86-755-33233381
  • Tel:0086-531-58773055
  • Fax:0086-531-58773066
  • Tel:86-571-85586718
  • Fax:86-571-85864795
  • Tel:86-10-53366563
  • Fax:86-10-60216467
  • Tel:010-56205725;010-86181995
  • Fax:010-65763397
  • Tel:010-51184589
  • Fax:010-51184564
  • Tel:+86-755-2649 1655 ,+86-25-8697 8001
  • Fax:0086-523-8620-0341
  • Tel:618 476-3920
  • Fax:618 476-7408
  • Tel:+31 (0)20 611 31 33
  • Fax:+31 (0)20 613 75 96
 
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