1,2-Cyclohexanedione

Modify Date: 2025-08-20 14:37:29

1,2-Cyclohexanedione Structure
1,2-Cyclohexanedione structure
Common Name 1,2-Cyclohexanedione
CAS Number 765-87-7 Molecular Weight 112.127
Density 1.1±0.1 g/cm3 Boiling Point 194.0±9.0 °C at 760 mmHg
Molecular Formula C6H8O2 Melting Point 35 °C
MSDS Chinese USA Flash Point 66.9±4.4 °C

 Use of 1,2-Cyclohexanedione


1,2-Cyclohexanedione is an endogenous metabolite.

 Names

Name cyclohexane-1,2-dione
Synonym More Synonyms

 1,2-Cyclohexanedione Biological Activity

Description 1,2-Cyclohexanedione is an endogenous metabolite.
Related Catalog

 Chemical & Physical Properties

Density 1.1±0.1 g/cm3
Boiling Point 194.0±9.0 °C at 760 mmHg
Melting Point 35 °C
Molecular Formula C6H8O2
Molecular Weight 112.127
Flash Point 66.9±4.4 °C
Exact Mass 112.052429
PSA 34.14000
LogP 0.11
Vapour Pressure 0.5±0.4 mmHg at 25°C
Index of Refraction 1.474
InChIKey OILAIQUEIWYQPH-UHFFFAOYSA-N
SMILES O=C1CCCCC1=O
Storage condition 0-6°C

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
GV0340000
CHEMICAL NAME :
1,2-Cyclohexanedione
CAS REGISTRY NUMBER :
765-87-7
BEILSTEIN REFERENCE NO. :
0507419
LAST UPDATED :
199701
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C6-H8-O2
MOLECULAR WEIGHT :
112.14
WISWESSER LINE NOTATION :
L6VVTJ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MUTATION DATA

TYPE OF TEST :
Mutation in microorganisms
TEST SYSTEM :
Bacteria - Salmonella typhimurium
DOSE/DURATION :
1 mg/plate
REFERENCE :
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 67,367,1979

 Safety Information

Personal Protective Equipment Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
Hazard Codes Xn:Harmful
Risk Phrases R22
Safety Phrases S24/25
RIDADR 1325.0
WGK Germany 3
RTECS GV0340000
Hazard Class 4.1
HS Code 2914299000

 Synthetic Route

 Customs

HS Code 2914299000
Summary 2914299000. other cyclanic, cyclenic or cyclotherpenic ketones without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%

 Articles27

More Articles
Chemical modification of cationic groups in the polypeptide cardiac stimulant anthopleurin-A.

Toxicon 33(2) , 187-99, (1995)

Chemical modification studies have been carried out on the sea anemone polypeptide anthopleurin-A in order to clarify the role of Arg-14 in its cardiac stimulatory activity. Reaction with 1,2-cyclohex...

Modification of arginine-198 in sarcoplasmic reticulum Ca2+-ATPase by 1,2-cyclohexanedione causes inhibition of formation of the phosphoenzyme intermediate from inorganic phosphate.

J. Biol. Chem. 272(34) , 21142-50, (1997)

Sarcoplasmic reticulum vesicles were modified with 1,2-cyclohexanedione (CHD), a specific arginine-modifying reagent, in sodium borate (pH 8.0 or 8.8). Phosphoenzyme formation from Pi in the Ca2+-ATPa...

Evidence for an essential arginine in the flavoprotein nitroalkane oxidase.

J. Enzym. Inhib. 16(2) , 157-63, (2001)

The flavoprotein nitroalkane oxidase from the fungus Fusarium oxysporum catalyzes the oxidative denitrification of primary or secondary nitroalkanes to yield the respective aldehydes or ketones, hydro...

 1,2-CyclohexanedioneBioassay

View more

Name: Inhibition constant against human Acetylcholinesterase (hAcChE) using acetylthiocholi...
Source: ChEMBL
Target: Acetylcholinesterase
External Id: CHEMBL829841
Name: Inhibition constant against human intestinal carboxylesterase 2 (hiCE) using nitrophe...
Source: ChEMBL
Target: Cocaine esterase
External Id: CHEMBL839684
Name: Inhibition constant against rabbit liver carboxylesterase (rCE) using nitrophenyl ace...
Source: ChEMBL
Target: Liver carboxylesterase 1
External Id: CHEMBL828256
Name: Inhibition constant against human Butyrylcholinesterase (hBuChE) using butyrylthiocho...
Source: ChEMBL
Target: Cholinesterase
External Id: CHEMBL828255
Name: Inhibition constant against human liver carboxylesterase 1 (hCE1) using nitrophenyl a...
Source: ChEMBL
Target: Liver carboxylesterase 1
External Id: CHEMBL828284
Name: HIV Cellular Data
Source: NIAID
Target: N/A
External Id: HIV Cellular Data
Total 6, Current Page 1 of 1
1

 Synonyms

Cyclohexan-1,2-dion
L6VVTJ
1,2-Cyclohexadione
EINECS 212-155-3
Cyclohexan-1,2-dione
1,2-Cyclohexanedione
MFCD04971978
Cyclohexane-1,2-dione
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