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Merck
CN

09655

2-(3-Methylbutyryl)-5,5-dimethyl-1,3-cyclohexandione

≥99.0% (GC)

Synonym(s):

2-Isovaleryldimedone, 5,5-Dimethyl-2-(3-methylbutyryl)-1,3-cyclohexanedione, Ddiv

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About This Item

Empirical Formula (Hill Notation):
C13H20O3
CAS Number:
172611-72-2
Molecular Weight:
224.30
UNSPSC Code:
12352115
NACRES:
NA.22
PubChem Substance ID:
329748785
MDL number:
MFCD01862890
Beilstein/REAXYS Number:
3275155

Key Documents

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Product Name

2-(3-Methylbutyryl)-5,5-dimethyl-1,3-cyclohexandione, ≥99.0% (GC)

InChI

1S/C13H20O3/c1-8(2)5-9(14)12-10(15)6-13(3,4)7-11(12)16/h8,12H,5-7H2,1-4H3

SMILES string

CC(C)CC(=O)C1C(=O)CC(C)(C)CC1=O

InChI key

HNPWTDUZIXAJSA-UHFFFAOYSA-N

assay

≥99.0% (GC)

refractive index

n20/D 1.498

density

1.027 g/mL at 20 °C (lit.)

application(s)

peptide synthesis

functional group

ketone

Quality Level

200

Related Categories

Other Notes

Amine protecting group which is orthogonal to Fmoc, Boc and tert-butyl protections; selective cleavage with 2% hydrazine in DMF.

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
0000366962
0000366962
0000134694
0000102506
0000070225

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Beatriz Reina Bouvet et al.
Archivos espanoles de urologia, 58(10), 1049-1054 (2006-02-18)
To investigate sperm quality before and after swim up in infertile patients, and to compare it with a fertile men population. Semen samples from 55 patients consulting at the infertility services of the Hospitals "Centenario" in Rosario and "Eva Perón"
S.R. Chhabra et al.
Tetrahedron Letters, 39, 1603-1603 (1998)

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