CAS 498-02-2|Acetovanillone

Introduction：Basic information about CAS 498-02-2|Acetovanillone, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Acetovanillone BiologicalActivity
3. Chemical & Physical Properties
4. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
MUTATION DATA
5. Safety Information
6. Customs
7. Articles159
8. Synonyms

Common Name	Acetovanillone
CAS Number	498-02-2	Molecular Weight	166.174
Density	1.2±0.1 g/cm3	Boiling Point	297.5±0.0 °C at 760 mmHg
Molecular Formula	C₉H₁₀O₃	Melting Point	112-115 °C(lit.)
MSDS	ChineseUSA	Flash Point	125.5±15.8 °C
Symbol	GHS07	Signal Word	Warning

Names

Name	apocynin
Synonym	More Synonyms

Acetovanillone BiologicalActivity

Description	Apocynin is a selective NADPH-oxidase inhibitor with an IC50 of 10 μM.
Related Catalog	Signaling Pathways >>Autophagy >>AutophagyNatural Products >>PhenolsResearch Areas >>Cancer
References	[1]. Stolk J,et al. Am J Respir Cell Mol Biol, 1994, 11(1), 95-102. [2]. Stefanska J, et al. Mediators Inflamm, 2008, 106507. [3]. Impellizzeri D et al. Effect of apocynin, a NADPH oxidase inhibitor, on acute lung inflammation. Biochem Pharmacol. 2011 Mar 1;81(5):636-48.

Description

Apocynin is a selective NADPH-oxidase inhibitor with an IC50 of 10 μM.

Related Catalog

Signaling Pathways >>Autophagy >>AutophagyNatural Products >>PhenolsResearch Areas >>Cancer

References

[1]. Stolk J,et al. Am J Respir Cell Mol Biol, 1994, 11(1), 95-102.

[2]. Stefanska J, et al. Mediators Inflamm, 2008, 106507.

[3]. Impellizzeri D et al. Effect of apocynin, a NADPH oxidase inhibitor, on acute lung inflammation. Biochem Pharmacol. 2011 Mar 1;81(5):636-48.

Chemical & Physical Properties

Density	1.2±0.1 g/cm3
Boiling Point	297.5±0.0 °C at 760 mmHg
Melting Point	112-115 °C(lit.)
Molecular Formula	C₉H₁₀O₃
Molecular Weight	166.174
Flash Point	125.5±15.8 °C
Exact Mass	166.062988
PSA	46.53000
LogP	1.39
Vapour Pressure	0.0±0.6 mmHg at 25°C
Index of Refraction	1.538
InChIKey	DFYRUELUNQRZTB-UHFFFAOYSA-N
SMILES	COc1cc(C(C)=O)ccc1O
Storage condition	Refrigerator
Water Solubility	soluble in hot water

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: AM8800000

CHEMICAL NAME :: Acetophenone, 4'-hydroxy-3'-methoxy-

CAS REGISTRY NUMBER :: 498-02-2

BEILSTEIN REFERENCE NO. :: 0637373

LAST UPDATED :: 199701

DATA ITEMS CITED :: 4

MOLECULAR FORMULA :: C9-H10-O3

MOLECULAR WEIGHT :: 166.19

WISWESSER LINE NOTATION :: 1VR DQ CO1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 9 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 650 mg/kg

TOXIC EFFECTS :: Behavioral - altered sleep time (including change in righting reflex)

MUTATION DATA

TYPE OF TEST :: Mutation in microorganisms

TEST SYSTEM :: Yeast - Saccharomyces cerevisiae

DOSE/DURATION :: 400 mg/L

REFERENCE :: MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 119,273,1983

Safety Information

Symbol	GHS07
Signal Word	Warning
Hazard Statements	H315-H319-H335
Precautionary Statements	P261-P305 + P351 + P338
Personal Protective Equipment	dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes	Xi:Irritant;
Risk Phrases	R36/37/38
Safety Phrases	S26-S36
RIDADR	NONH for all modes of transport
WGK Germany	2
RTECS	AM8800000
HS Code	2942000000

Customs

HS Code	2914509090
Summary	HS:2914509090 other ketones with other oxygen function VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

Articles159

Mutual enhancement between high-mobility group box-1 and NADPH oxidase-derived reactive oxygen species mediates diabetes-induced upregulation of retinal apoptotic markers.

J. Physiol. Biochem. 71 , 359-72, (2015)

The expression of the proinflammatory cytokine high-mobility group box-1 (HMGB1) is upregulated in epiretinal membranes and vitreous fluid from patients with proliferative diabetic retinopathy (PDR) a...

Pigment epithelium-derived factor inhibits retinal microvascular dysfunction induced by 12/15-lipoxygenase-derived eicosanoids.

Biochim. Biophys. Acta 1851(3) , 290-8, (2015)

We recently demonstrated that 12/15-lipoxygenase (LOX) derived metabolites, hydroxyeicosatetraenoic acids (HETEs), contribute to diabetic retinopathy (DR) via NADPH oxidase (NOX) and disruption of the...

Carbamazepine attenuates inducible nitric oxide synthase expression through Akt inhibition in activated microglial cells.

Pharm. Biol. 52(11) , 1451-9, (2014)

Abstract Background: Carbamazepine, which was developed primarily for the treatment of epilepsy, is now also useful for the treatment of non-epileptic disorders and inflammatory hyperalgesia. However,...

Synonyms

4'-hydroxy-3'-methoxyacetophenone

MFCD00008747

Acetovanillone

Apocynin

Ethanone, 1-(4-hydroxy-3-methoxyphenyl)-

1-(4-Hydroxy-3-methoxyphenyl)ethanone

EINECS 207-854-5

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