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75653

Sigma-Aldrich

(1R,5S)-3-Oxabicyclo[3.3.0]oct-6-en-2-one

≥95.0% (GC)

Synonym(s):

(3aS,6aR)-3,3a,6,6a-Tetrahydro-1H-cyclopenta[c]furan-2-one

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About This Item

Empirical Formula (Hill Notation):
C7H8O2
CAS Number:
128946-78-1
Molecular Weight:
124.14
Beilstein:
4661660
MDL number:
MFCD05664713
UNSPSC Code:
12352005
PubChem Substance ID:
57652579
NACRES:
NA.22

Quality Level

100

Assay

≥95.0% (GC)

form

liquid

optical activity

[α]20/D 53±2°, c = 0.5% in methanol

functional group

ester

storage temp.

2-8°C

SMILES string

[H][C@@]12COC(=O)[C@]1([H])CC=C2

InChI

1S/C7H8O2/c8-7-6-3-1-2-5(6)4-9-7/h1-2,5-6H,3-4H2/t5-,6-/m1/s1

InChI key

XYRFGFRTVXZAIU-PHDIDXHHSA-N

Packaging

Bottomless glass bottle. Contents are inside inserted fused cone.

Other Notes

Chiral building block; e.g. for pheromone synthesis

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
1197121V
1197121V
1197121
1197121

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J. Lebreton et al.
Tetrahedron, 53, 145-145 (1997)

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