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Safety Information

274879

Sigma-Aldrich

1,4-Cyclohexanedione monoethylene acetal

97%

Synonym(s):

1,4-Dioxaspiro[4.5]decan-8-one

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About This Item

Empirical Formula (Hill Notation):
C8H12O3
CAS Number:
4746-97-8
Molecular Weight:
156.18
Beilstein:
117631
MDL number:
MFCD00010214
UNSPSC Code:
12352100
PubChem Substance ID:
24856612
NACRES:
NA.22

Quality Level

100

Assay

97%

form

solid

mp

70-73 °C (lit.)

functional group

ether
ketal
ketone

SMILES string

O=C1CCC2(CC1)OCCO2

InChI

1S/C8H12O3/c9-7-1-3-8(4-2-7)10-5-6-11-8/h1-6H2

InChI key

VKRKCBWIVLSRBJ-UHFFFAOYSA-N

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Application

Used in a study of microwave-assisted reductive amination.
Via a novel aromatization process, this bicyclic frame can be converted into a series of 5-alkoxytryptamine derivatives including serotonin, melatonin and bufotenin

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

JAN Code

274879-1KG:
274879-5G:
274879-BULK:
274879-VAR:
274879-25G:
274879-100G:

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Certificates of Analysis (COA)

Lot/Batch Number
STBJ1211
STBD6927V
STBD6163V
STBD5840V
STBB9796V

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Aldrichimica Acta, 12, 40-40 (1979)
Tetrahedron Letters, 45, 4859-4859 (2004)
Synlett, 81-81 (1994)
A mild method for the preparation of gamma-hydroxy-alpha,beta-acetylenic esters.
Shatrughan P Shahi et al.
Angewandte Chemie (International ed. in English), 43(19), 2525-2527 (2004-05-06)
Synthetic Communications, 24, 799-799 (1994)
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