6H-2-Benzopyran-5-carboxaldehyde,7,8-dihydro-7,8-dihydroxy-3,7-dimethyl-6-oxo-, (7R,8S)-

Names

[ Name ]:
6H-2-Benzopyran-5-carboxaldehyde,7,8-dihydro-7,8-dihydroxy-3,7-dimethyl-6-oxo-, (7R,8S)-

[Synonym ]:
(7R-E)-7,8-Dihydro-7,8-dihydroxy-3,7-dimethyl-6-oxo-6H-2-benzopyran-5-carboxaldehyde
(7R,8S)-7,8-Dihydro-7,8-dihydroxy-3,7-dimethyl-6-oxo-6H-2-benzopyran-5-carbaldehyde
Austadiol Austdiol Austidiol
Austidiol
6H-2-Benzopyran-5-carboxaldehyde,7,8-dihydro-7,8-dihydroxy-3,7-dimethyl-6-oxo-,(7R-trans)
Austdiol
Austadiol

Chemical & Physical Properties

[ Density]:
1.42g/cm3

[ Boiling Point ]:
443ºC at 760mmHg

[ Molecular Formula ]:
C₁₂H₁₂O₅

[ Molecular Weight ]:
236.22100

[ Flash Point ]:
175.1ºC

[ Exact Mass ]:
236.06800

[ PSA ]:
83.83000

[ Index of Refraction ]:
1.613

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DJ2232000

CHEMICAL NAME :: 6H-2-Benzopyran-5-carboxaldehyde, 7,8-dihydro-7,8-dihydroxy-3,7-dimethyl-6-oxo-, (7R-trans)-

CAS REGISTRY NUMBER :: 53043-28-0

BEILSTEIN REFERENCE NO. :: 1383761

LAST UPDATED :: 199612

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C12-H12-O5

MOLECULAR WEIGHT :: 236.24

WISWESSER LINE NOTATION :: T66 CO HV FU&TJ D1 GVH IQ I1 JQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MUTATION DATA

TYPE OF TEST :: Mutation in microorganisms

TEST SYSTEM :: Bacteria - Salmonella typhimurium

DOSE/DURATION :: 50 ug/plate

REFERENCE :: MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 58,193,1978

Safety Information

[ Symbol ]:

GHS06, GHS08

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H301-H360

[ Precautionary Statements ]:
P201-P301 + P310-P308 + P313

[ RIDADR ]:
UN 3172

[ Packaging Group ]:
III

[ Hazard Class ]:
6.1(b)

Articles

On the interplay between CH...O and OH...O interactions in determining crystal packing and molecular conformation: an experimental and theoretical charge density study of the fungal secondary metabolite austdiol (C12H12O5).

J. Phys. Chem. B 110(12) , 6405-14, (2006)

The total experimental electron density rho(r), its Laplacian inverted delta(2)rho(r), the molecular dipole moment, the electrostatic potential phi(r), and the intermolecular interaction energies have...

The fungal metabolite austdiol.

Acta Crystallogr. C 59(Pt 4) , O199-201, (2003)

The title compound, (7R,8S)-7,8-dihydroxy-3,7-dimethyl-6-oxo-7,8-dihydro-6H-isochromene-5-carbaldehyde, C(12)H(12)O(5), is a trans-vicinal diol. Of the two fused rings, which lie approximately in the ...

Related Compounds

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