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