CAS 1072-83-9|2-Acetyl-1H-pyrrole

Introduction：Basic information about CAS 1072-83-9|2-Acetyl-1H-pyrrole, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. 2-Acetyl-1H-pyrrole BiologicalActivity
3. Chemical & Physical Properties
4. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
MUTATION DATA
5. Safety Information
6. Customs
7. Articles6
8. Synonyms

Common Name	2-Acetyl-1H-pyrrole
CAS Number	1072-83-9	Molecular Weight	109.126
Density	1.1±0.1 g/cm3	Boiling Point	220.9±13.0 °C at 760 mmHg
Molecular Formula	C₆H₇NO	Melting Point	88-93 °C(lit.)
MSDS	ChineseUSA	Flash Point	92.4±27.3 °C
Symbol	GHS07	Signal Word	Warning

Names

Name	2-acetylpyrrole
Synonym	More Synonyms

2-Acetyl-1H-pyrrole BiologicalActivity

Description	2-Acetylpyrrole is a product of model browning systems, and has been isolated as a major flavour component of many foods[1]. 2-Acetylpyrrole has been used in the synthesis of 2-acetyl-1-pyrroline[2].
Related Catalog	Research Areas >>OthersSignaling Pathways >>Others >>Others
References	[1]. C J Wang, et al. Mutagenicity and cytotoxicity of nitropyrrole compounds derived from the reaction of 2-acetyl pyrrole with nitrite. Food Chem Toxicol. 1994 Sep;32(9):839-44. [2]. Ron G. Buttery, et al. Cooked rice aroma and 2-acetyl-1-pyrroline. J. Agric. FoodChem. 1983, 31, 4, 823–826

Description

2-Acetylpyrrole is a product of model browning systems, and has been isolated as a major flavour component of many foods[1]. 2-Acetylpyrrole has been used in the synthesis of 2-acetyl-1-pyrroline[2].

Related Catalog

Research Areas >>OthersSignaling Pathways >>Others >>Others

References

[1]. C J Wang, et al. Mutagenicity and cytotoxicity of nitropyrrole compounds derived from the reaction of 2-acetyl pyrrole with nitrite. Food Chem Toxicol. 1994 Sep;32(9):839-44.

[2]. Ron G. Buttery, et al. Cooked rice aroma and 2-acetyl-1-pyrroline. J. Agric. FoodChem. 1983, 31, 4, 823–826

Chemical & Physical Properties

Density	1.1±0.1 g/cm3
Boiling Point	220.9±13.0 °C at 760 mmHg
Melting Point	88-93 °C(lit.)
Molecular Formula	C₆H₇NO
Molecular Weight	109.126
Flash Point	92.4±27.3 °C
Exact Mass	109.052765
PSA	32.86000
LogP	0.88
Vapour Pressure	0.1±0.4 mmHg at 25°C
Index of Refraction	1.531
InChIKey	IGJQUJNPMOYEJY-UHFFFAOYSA-N
SMILES	CC(=O)c1ccc[nH]1

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: OB5970000

CHEMICAL NAME :: Ketone, methyl pyrrol-2-yl

CAS REGISTRY NUMBER :: 1072-83-9

BEILSTEIN REFERENCE NO. :: 0001882

LAST UPDATED :: 199701

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C6-H7-N-O

MOLECULAR WEIGHT :: 109.14

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MUTATION DATA

TYPE OF TEST :: Mutation in microorganisms

TEST SYSTEM :: Bacteria - Salmonella typhimurium

DOSE/DURATION :: 20 umol/plate

REFERENCE :: MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 321,213,1994

Safety Information

Symbol	GHS07
Signal Word	Warning
Hazard Statements	H302-H315-H335
Precautionary Statements	P261
Personal Protective Equipment	dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes	Xn: Harmful;Xi: Irritant;
Risk Phrases	R22
Safety Phrases	S37/39-S26-S24/25
RIDADR	NONH for all modes of transport
WGK Germany	3
RTECS	OB5970000
HS Code	2933990090

Customs

HS Code	2933990090
Summary	2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Articles6

Approaches of aroma extraction dilution analysis (AEDA) for headspace solid phase microextraction and gas chromatography-olfactometry (HS-SPME-GC-O): Altering sample amount, diluting the sample or adjusting split ratio?

Food Chem. 187 , 44-52, (2015)

Aroma extract dilution analysis (AEDA) is widely used for the screening of aroma-active compounds in gas chromatography-olfactometry (GC-O). In this study, three aroma dilution methods, (I) using diff...

Extension of a dynamic headspace multi-volatile method to milliliter injection volumes with full sample evaporation: Application to green tea.

J. Chromatogr. A. 1421 , 103-13, (2015)

An extension of multi-volatile method (MVM) technology using the combination of a standard dynamic headspace (DHS) configuration, and a modified DHS configuration incorporating an additional vacuum mo...

Mutagen formation in the reaction of Maillard browning products, 2-acetylpyrrole and its analogues, with nitrite.

Food Chem. Toxicol. 24(12) , 1303-8, (1986)

Three 2-substituted pyrroles (2-acetylpyrrole, pyrrole-2-carboxaldehyde and pyrrole-2-carboxylic acid), which are products of the Maillard browning reaction, were reacted with nitrite in buffer soluti...

Synonyms

1-(1H-Pyrrol-2-yl)ethanone

2-Pyrrolyl methyl ketone

Methyl pyrrol-2-yl ketone

Methyl 2-pyrrolyl ketone

Ethanone, 1-(1H-pyrrol-2-yl)-

Pyrrol-2-yl methyl ketone

1-(2-Pyrrolyl)-1-ethanone

MFCD00005220

2-Acetyl pyrrole

EINECS 214-016-2

1-(1H-Pyrrol-2-yl)ethan-1-one

2-Acetylpyrrole

2-Acetyl-1H-pyrrole

ACETYL-2 PYRROLE

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