ChemicalBook--->CAS DataBase List--->37112-31-5

37112-31-5

37112-31-5 Structure

37112-31-5 Structure
IdentificationBack Directory
[Name]

LEVOGLUCOSENONE
[CAS]

37112-31-5
[Synonyms]

(1S,5R)-
Ccris 4274
Brn 4859778
LEVOGLUCOSENONE
Levoglucosenone min. 98%
6,8-DIOXA-BICYCLO[3.2.1]OCT-2-EN-4-ONE
2β,6β-(Epoxymethano)-2H-pyran-3(6H)-one
(1s)-8-dioxabicyclo(3.2.1)oct-2-en-4-one
6,8-Dioxabicyclo(3.2.1)oct-2-en-4-one, (1S)-
(2R,6S)-2,6-Epoxy-6,7-dihydrooxepin-3(2H)-one
6,8-Dioxabicyclo3.2.1oct-2-en-4-one, (1S,5R)-
(1S,5R)-6,8-Dioxabicyclo[3.2.1]oct-2-en-4-one
1,6-Anhydro-3,4-dideoxy-beta-D-pyranosen-2-one
(1β,5β)-6,8-Dioxabicyclo[3.2.1]octa-2-ene-4-one
(2R)-2β,6β-(Epoxymethano)-3,6-dihydro-2H-pyran-3-one
1,6-Anhydro-3,4-dideoxy-α-D-glycero-hex-3-enopyranose-2-ulose
1,6-Anhydro-3,4-dideoxy-a-D-glycero-hex-3-enopyranose-2-ulose
1,6-ANHYDRO-3,4-DIDEOXY-ALPHA-D-GLYCERO-HEX-3-ENOPYRANOSE-2-ULOSE
(1S,5R)-6,8-Dioxabicyclo[3.2.1]oct-2-en-4-one, (1S,5R)-6,8-Dioxa-4-oxobicyclo[3.2.1]oct-2-ene
[Molecular Formula]

C6H6O3
[MDL Number]

MFCD00191664
[MOL File]

37112-31-5.mol
[Molecular Weight]

126.11
Chemical PropertiesBack Directory
[Appearance]

Colourless to Yellow Oil
[alpha ]

D25 -460° (c = 1.0 in CHCl3) (Halpern, 1973); D31 -514.8° (c = 0.3 in CHCl3) (Taniguchi).
[Boiling point ]

113°C/3mmHg(lit.)
[density ]

1.329±0.06 g/cm3(Predicted)
[refractive index ]

nD25 1.5084
[storage temp. ]

Amber Vial, -20°C Freezer, Under Inert Atmosphere
[solubility ]

Chloroform (Sparingly), DMSO (Slightly), Ethyl Acetate (Slightly)
[form ]

liquid
[color ]

Colourless to Yellow
[Merck ]

14,5465
[Stability:]

Light Sensitive
[InChI]

InChI=1S/C6H6O3/c7-5-2-1-4-3-8-6(5)9-4/h1-2,4,6H,3H2/t4-,6+/m0/s1
[InChIKey]

HITOXZPZGPXYHY-UJURSFKZSA-N
[SMILES]

[C@@]12([H])O[C@@]([H])(OC1)C(=O)C=C2
[LogP]

-0.740 (est)
Hazard InformationBack Directory
[Chemical Properties]

Colourless to Yellow Oil
[Uses]

(-)-Form is a pyrolysis product of cellulose and cellulose-containing materials including pulp and paper waste products. Known as a pyrolytic product of cellulose, its very useful as a chiral source for synthesizing natural products because of its highly
[Uses]

useful carbohydrate synthon
[Uses]

Chiral building block in organic synthesis.
[Definition]

ChEBI: Levoglucosenone is an anhydrohexose and a deoxyketohexose.
Safety DataBack Directory
[Risk Statements ]

36
[Safety Statements ]

26
[WGK Germany ]

WGK 3
[RTECS ]

JG7020000
[HS Code ]

2932990090
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Irrit. 2
Spectrum DetailBack Directory
[Spectrum Detail]

LEVOGLUCOSENONE(37112-31-5)MS
LEVOGLUCOSENONE(37112-31-5)1HNMR
LEVOGLUCOSENONE(37112-31-5)13CNMR
LEVOGLUCOSENONE(37112-31-5)IR1
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