490881
[3aR-(3aα,5aβ,6aβ,6bα)]-3a,5a,6a,6b-Tetrahydro-2,2-dimethyloxireno[e]-1,3-benzodioxole
96%
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About This Item
Empirical Formula (Hill Notation):
C9H12O3
CAS Number:
Molecular Weight:
168.19
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352005
MDL number:
Assay:
96%
InChI
1S/C9H12O3/c1-9(2)11-6-4-3-5-7(10-5)8(6)12-9/h3-8H,1-2H3/t5-,6-,7-,8-/m1/s1
SMILES string
[H][C@]12O[C@@]1([H])[C@]3([H])OC(C)(C)O[C@]3([H])C=C2
InChI key
GAUDXMCZQNKKEF-WCTZXXKLSA-N
assay
96%
optical activity
[α]18/D −56°, c = 1.3 in chloroform
refractive index
n20/D 1.476 (lit.)
bp
79 °C/1.5 mmHg (lit.)
density
1.101 g/mL at 25 °C (lit.)
storage temp.
−20°C
Storage Class
10 - Combustible liquids not in Storage Class 3
wgk
WGK 3
flash_point_f
198.0 °F - closed cup
flash_point_c
92.2 °C - closed cup
ppe
Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
Regulatory Information
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Yu-Wen Alvin Huang et al.
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