(+)-(1S,2R,3S,6R)-7-Oxabicyclo(4.1.0)hept-4-ene-2,3-diol supplier

Name
(1S,2S,3R,6R)-7-oxabicyclo[4.1.0]hept-4-ene-2,3-diol
EINECS
CAS No. 121153-49-9
Article Data3
CAS DataBase
Density 1.534g/cm³
Solubility
Melting Point
Formula C6H8 O3
Boiling Point 281.5°C at 760 mmHg
Molecular Weight 128.128
Flash Point 124.1°C
Transport Information
Appearance
Safety Questionable carcinogen with experimental carcinogenic data. When heated to decomposition it emits acrid smoke and irritating vapors.
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 7-Oxabicyclo[4.1.0]hept-4-ene-2,3-diol,[1S-(1a,2b,3a,6a)]-
PSA 0.00000
LogP 0.00000

(+)-(1S,2R,3S,6R)-7-Oxabicyclo(4.1.0)hept-4-ene-2,3-diol Chemical Properties

Molecular Structure of (+)-(1S,2R,3S,6R)-7-Oxabicyclo(4.1.0)hept-4-ene-2,3-diol (CAS NO. 121153-49-9):

IUPAC Name: (1S,2S,3R,6R)-7-Oxabicyclo[4.1.0]hept-4-ene-2,3-diol
Molecular Formula: C₆H₈O₃
Molecular Weight: 128.125920 g/mol
XLogP3-AA: -1.1
H-Bond Donor: 2
H-Bond Acceptor: 3
Canonical SMILES: C1=CC2C(O2)C(C1O)O
Isomeric SMILES: C1=C[C@@H]2[C@@H](O2)[C@H]([C@@H]1O)O
InChI: InChI=1S/C6H8O3/c7-3-1-2-4-6(9-4)5(3)8/h1-8H/t3-,4-,5+,6-/m1/s1
InChIKey: JKZWMSHRWLYMOD-ARQDHWQXSA-N
Index of Refraction: 1.64
Molar Refractivity: 30.11 cm³
Molar Volume: 83.5 cm³
Surface Tension: 66.3 dyne/cm
Density: 1.534 g/cm³
Flash Point: 124.1 °C
Enthalpy of Vaporization: 60.4 kJ/mol
Boiling Point: 281.5 °C at 760 mmHg
Vapour Pressure of (+)-(1S,2R,3S,6R)-7-Oxabicyclo(4.1.0)hept-4-ene-2,3-diol (CAS NO. 121153-49-9): 0.00042 mmHg at 25 °C

(+)-(1S,2R,3S,6R)-7-Oxabicyclo(4.1.0)hept-4-ene-2,3-diol Toxicity Data With Reference

ipr-mus TDLo:70 mg/kg/15D-I:CAR

CRNGDP Carcinogenesis. 11 (1990),1473.

(+)-(1S,2R,3S,6R)-7-Oxabicyclo(4.1.0)hept-4-ene-2,3-diol Safety Profile

Questionable carcinogen with experimental carcinogenic data. When heated to decomposition it emits acrid smoke and irritating vapors.

(+)-(1S,2R,3S,6R)-7-Oxabicyclo(4.1.0)hept-4-ene-2,3-diol Specification

(+)-(1S,2R,3S,6R)-7-Oxabicyclo(4.1.0)hept-4-ene-2,3-diol with cas registry number of 121153-49-9 is also called for (+)-1-alpha,2-beta-Dihydroxy-3-beta,4-beta-epoxy-1,2,3,4-tetrahydrobenzene ; CCRIS 2986 ; (1S-(1alpha,2beta,3alpha,6alpha))-7-Oxabicyclo(4.1.0)hept-ene-2,3-diol ; 7-Oxabicyclo(4.1.0)hept-4-ene-2,3-diol, (1S-(1-alpha,2-beta,3-alpha,6-alpha))- .

Product Name

(1S,2S,3R,6R)-7-oxabicyclo[4.1.0]hept-4-ene-2,3-diol

(+)-(1S,2R,3S,6R)-7-Oxabicyclo(4.1.0)hept-4-ene-2,3-diol Chemical Properties

(+)-(1S,2R,3S,6R)-7-Oxabicyclo(4.1.0)hept-4-ene-2,3-diol Toxicity Data With Reference

(+)-(1S,2R,3S,6R)-7-Oxabicyclo(4.1.0)hept-4-ene-2,3-diol Safety Profile

(+)-(1S,2R,3S,6R)-7-Oxabicyclo(4.1.0)hept-4-ene-2,3-diol Specification

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