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29059

1,3-Cyclohexanedione

Name: 1,3-Cyclohexanedione
Brand: SIAL

purum, ≥97.0% (T)

Synonym(s):

Dihydroresorcinol

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About This Item

Linear Formula:

C₆H₈(=O)₂

CAS Number:

504-02-9

Molecular Weight:

112.13

EC Number:

207-980-0

UNSPSC Code:

12352100

PubChem Substance ID:

329753307

Beilstein/REAXYS Number:

385888

MDL number:

MFCD00001585

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Properties

grade

purum

assay

≥97.0% (T)

ign. residue

~0.5%

mp

101-105 °C (lit.)

fluorescence

λ_ex 375 nm; λ_em 458 nm in H₂O (after derivatization of aldehydes)

suitability

suitable for fluorescence

storage temp.

2-8°C

SMILES string

O=C1CCCC(=O)C1

InChI

1S/C6H8O2/c7-5-2-1-3-6(8)4-5/h1-4H2

InChI key

HJSLFCCWAKVHIW-UHFFFAOYSA-N

Gene Information

human ... ACHE(43), BCHE(590), CES1(1066)

Description

pictograms

GHS05,GHS07

signalword

Danger

hcodes

H302,H318,H412

pcodes

P273 - P280 - P301 + P312 + P330 - P305 + P351 + P338 + P310

Hazard Classifications

Acute Tox. 4 Oral - Aquatic Chronic 3 - Eye Dam. 1

Storage Class

13 - Non Combustible Solids

wgk

WGK 2

ppe

Eyeshields, Gloves, type N95 (US)

Regulatory Information

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Two-dimensional IR spectroscopy can be designed to eliminate the diagonal peaks and expose only the crosspeaks needed for structure determination.

M T Zanni et al.

Proceedings of the National Academy of Sciences of the United States of America, 98(20), 11265-11270 (2001-09-20)

The power of two-dimensional (2D) IR spectroscopy as a structural method with unprecedented time resolution is greatly improved by the introduction of IR polarization conditions that completely eliminate diagonal peaks from the spectra and leave only the crosspeaks needed for

Spectroscopic and computational studies of NTBC bound to the non-heme iron enzyme (4-hydroxyphenyl)pyruvate dioxygenase: active site contributions to drug inhibition.

Michael L Neidig et al.

Biochemical and biophysical research communications, 338(1), 206-214 (2005-10-04)

(4-Hydroxyphenyl)pyruvate dioxygenase (HPPD) is an alpha-keto-acid-dependent dioxygenase which catalyzes the conversion of (4-hydroxyphenyl)pyruvate (HPP) to homogentisate as part of tyrosine catabolism. While several di- and tri-ketone alkaloids are known as inhibitors of HPPD and used commercially as herbicides, one such

Polyclonal-based ELISA for the identification of cyclohexanedione analogs that inhibit maize acetyl coenzyme-A carboxylase.

S R Webb et al.

Journal of AOAC International, 84(1), 143-149 (2001-03-10)

Cyclohexanedione herbicides inhibit monocotyledonous acetyl coenzyme-A carboxylase (ACCase; E.C. 6.4.1.2.), which catalyzes the first committed step in fatty acid biosynthesis. Although the target site has been identified, little is known about the mechanisms involved in herbicide binding. An immunological study

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