CAS 22839-47-0|Aspartame

Introduction：Basic information about CAS 22839-47-0|Aspartame, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Aspartame BiologicalActivity
3. Chemical & Physical Properties
4. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
5. Safety Information
6. Customs
7. Articles67
8. Synonyms

Common Name	Aspartame
CAS Number	22839-47-0	Molecular Weight	294.303
Density	1.3±0.1 g/cm3	Boiling Point	535.8±50.0 °C at 760 mmHg
Molecular Formula	C₁₄H₁₈N₂O₅	Melting Point	242-248 °C
MSDS	ChineseUSA	Flash Point	277.8±30.1 °C

Names

Name	aspartame
Synonym	More Synonyms

Aspartame BiologicalActivity

Description	Aspartame is an artificial, non-saccharide sweetener used as a sugar substitute in some foods and beverages.Target: OthersAspartame is a flavoring agent sweeter than sugar. Aspartame is a methyl ester of a dipeptide used as a synthetic nonnutritive sweetener. Epidemiological studies on aspartame include several case-control studies and one well-conducted prospective epidemiological study with a large cohort, in which the consumption of aspartame was measured. The studies provide no evidence to support an association between aspartame and cancer in any tissue. The weight of existing evidence is that aspartame is safe at current levels of consumption as a nonnutritive sweetener [1]. aspartame is safe, and there are no unresolved questions regarding its safety under conditions of intended use [2]. excessive aspartame ingestion might be involved in the pathogenesis of certain mental disorders (DSM-IV-TR 2000) and also in compromised learning and emotional functioning [3].
Related Catalog	Signaling Pathways >>Others >>OthersResearch Areas >>Others
References	[1]. Magnuson, B.A., et al., Aspartame: a safety evaluation based on current use levels, regulations, and toxicological and epidemiological studies. Crit Rev Toxicol, 2007. 37(8): p. 629-727. [2]. Butchko, H.H., et al., Aspartame: review of safety. Regul Toxicol Pharmacol, 2002. 35(2 Pt 2): p. S1-93. [3]. Humphries, P., E. Pretorius, and H. Naude, Direct and indirect cellular effects of aspartame on the brain. Eur J Clin Nutr, 2008. 62(4): p. 451-62.

Description

Aspartame is an artificial, non-saccharide sweetener used as a sugar substitute in some foods and beverages.Target: OthersAspartame is a flavoring agent sweeter than sugar. Aspartame is a methyl ester of a dipeptide used as a synthetic nonnutritive sweetener. Epidemiological studies on aspartame include several case-control studies and one well-conducted prospective epidemiological study with a large cohort, in which the consumption of aspartame was measured. The studies provide no evidence to support an association between aspartame and cancer in any tissue. The weight of existing evidence is that aspartame is safe at current levels of consumption as a nonnutritive sweetener [1]. aspartame is safe, and there are no unresolved questions regarding its safety under conditions of intended use [2]. excessive aspartame ingestion might be involved in the pathogenesis of certain mental disorders (DSM-IV-TR 2000) and also in compromised learning and emotional functioning [3].

Related Catalog

Signaling Pathways >>Others >>OthersResearch Areas >>Others

References

[1]. Magnuson, B.A., et al., Aspartame: a safety evaluation based on current use levels, regulations, and toxicological and epidemiological studies. Crit Rev Toxicol, 2007. 37(8): p. 629-727.

[2]. Butchko, H.H., et al., Aspartame: review of safety. Regul Toxicol Pharmacol, 2002. 35(2 Pt 2): p. S1-93.

[3]. Humphries, P., E. Pretorius, and H. Naude, Direct and indirect cellular effects of aspartame on the brain. Eur J Clin Nutr, 2008. 62(4): p. 451-62.

Chemical & Physical Properties

Density	1.3±0.1 g/cm3
Boiling Point	535.8±50.0 °C at 760 mmHg
Melting Point	242-248 °C
Molecular Formula	C₁₄H₁₈N₂O₅
Molecular Weight	294.303
Flash Point	277.8±30.1 °C
Exact Mass	294.121582
PSA	118.72000
LogP	1.11
Vapour Pressure	0.0±1.5 mmHg at 25°C
Index of Refraction	1.557
InChIKey	IAOZJIPTCAWIRG-QWRGUYRKSA-N
SMILES	COC(=O)C(Cc1ccccc1)NC(=O)C(N)CC(=O)O

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: WM3407000

CHEMICAL NAME :: Succinamic acid, 3-amino-N-(alpha-carboxyphenethyl)-, N-methyl ester, stereoisomer

CAS REGISTRY NUMBER :: 22839-47-0

LAST UPDATED :: 199701

DATA ITEMS CITED :: 16

MOLECULAR FORMULA :: C14-H18-N2-O5

MOLECULAR WEIGHT :: 294.34

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Human - woman

DOSE/DURATION :: 3710 ug/kg

TOXIC EFFECTS :: Skin and Appendages - dermatitis, allergic (after systemic exposure)

REFERENCE :: AIMEAS Annals of Internal Medicine. (American College of Physicians, 4200 Pine St., Philadelphia, PA 19104) V.1- 1927- Volume(issue)/page/year: 104,207,1986

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: >10 gm/kg

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

REFERENCE :: TOVEFN Toksikologicheskii Vestnik. (18-20 Vadkovskii per. Moscow, 101479, Russia) History Unknown Volume(issue)/page/year: (3),37,1996

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: >5 gm/kg

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

REFERENCE :: TOVEFN Toksikologicheskii Vestnik. (18-20 Vadkovskii per. Moscow, 101479, Russia) History Unknown Volume(issue)/page/year: (3),37,1996

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >10 gm/kg

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

REFERENCE :: TOVEFN Toksikologicheskii Vestnik. (18-20 Vadkovskii per. Moscow, 101479, Russia) History Unknown Volume(issue)/page/year: (3),37,1996

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >5 gm/kg

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

REFERENCE :: TOVEFN Toksikologicheskii Vestnik. (18-20 Vadkovskii per. Moscow, 101479, Russia) History Unknown Volume(issue)/page/year: (3),37,1996 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 1456 gm/kg/2Y-C

TOXIC EFFECTS :: Kidney, Ureter, Bladder - other changes in urine composition Nutritional and Gross Metabolic - changes in calcium

REFERENCE :: TXCYAC Toxicology. (Elsevier Scientific Pub. Ireland, Ltd., POB 85, Limerick, Ireland) V.1- 1973- Volume(issue)/page/year: 21,91,1981

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 1012 gm/kg/13W-C

TOXIC EFFECTS :: Behavioral - changes in motor activity (specific assay) Behavioral - alteration of operant conditioning Nutritional and Gross Metabolic - weight loss or decreased weight gain

REFERENCE :: JEPTDQ Journal of Environmental Pathology and Toxicology. (Park Forest South, IL) V.1-5(3), 1977-81(?). For publisher information, see JEPOEC. Volume(issue)/page/year: 3(5-6),341,1980

TYPE OF TEST :: TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 4530 ug/m3/24H/6W-C

TOXIC EFFECTS :: Liver - other changes Endocrine - other changes Nutritional and Gross Metabolic - other changes

REFERENCE :: TOVEFN Toksikologicheskii Vestnik. (18-20 Vadkovskii per. Moscow, 101479, Russia) History Unknown Volume(issue)/page/year: (3),37,1996

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 19500 mg/kg/30D-I

TOXIC EFFECTS :: Brain and Coverings - other degenerative changes

REFERENCE :: FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 25,565,1987 ** REPRODUCTIVE DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 275 gm/kg

SEX/DURATION :: male 2 week(s) pre-mating female 2 week(s) pre-mating - 16 day(s) post-birth

TOXIC EFFECTS :: Reproductive - Effects on Newborn - behavioral

REFERENCE :: NETOD7 Neurobehavioral Toxicology. (Fayetteville, NY) V.1-2, 1979-80. For publisher information, see NTOTDY. Volume(issue)/page/year: 1,79,1979

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 106 gm/kg

SEX/DURATION :: lactating female 12 day(s) post-birth

TOXIC EFFECTS :: Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight gain)

REFERENCE :: JEPTDQ Journal of Environmental Pathology and Toxicology. (Park Forest South, IL) V.1-5(3), 1977-81(?). For publisher information, see JEPOEC. Volume(issue)/page/year: 3(5-6),375,1980

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 449 gm/kg

SEX/DURATION :: male 2 week(s) pre-mating female 2 week(s) pre-mating - 21 day(s) post-birth

TOXIC EFFECTS :: Reproductive - Effects on Newborn - weaning or lactation index (e.g., # alive at weaning per # alive at day 4)

REFERENCE :: NETOD7 Neurobehavioral Toxicology. (Fayetteville, NY) V.1-2, 1979-80. For publisher information, see NTOTDY. Volume(issue)/page/year: 1,79,1979

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 4 gm/kg

SEX/DURATION :: female 15-18 day(s) after conception

TOXIC EFFECTS :: Reproductive - Effects on Newborn - behavioral

REFERENCE :: RCPBDC Research Communications in Psychology, Psychiatry and Behavior. (PJD Pub. Ltd., P.O. Box 966, Westbury, NY 11590) V.1- 1976- Volume(issue)/page/year: 9,385,1985

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 32500 mg/kg

SEX/DURATION :: female 1-65 day(s) after conception

TOXIC EFFECTS :: Reproductive - Effects on Newborn - behavioral

REFERENCE :: NETEEC Neurotoxicology and Teratology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.9- 1987- Volume(issue)/page/year: 11,413,1989

Safety Information

Personal Protective Equipment	Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
Hazard Codes	Xi
Safety Phrases	S22-S24/25
RIDADR	NONH for all modes of transport
WGK Germany	2
RTECS	WM3407000
HS Code	2924299090

Customs

HS Code	2924299090
Summary	2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

Articles67

Determination of eight artificial sweeteners and common Stevia rebaudiana glycosides in non-alcoholic and alcoholic beverages by reversed-phase liquid chromatography coupled with tandem mass spectrometry.

Anal. Bioanal. Chem 407(5) , 1505-12, (2015)

The method for the determination of acesulfame-K, saccharine, cyclamate, aspartame, sucralose, alitame, neohesperidin dihydrochalcone, neotame and five common steviol glycosides (rebaudioside A, rebau...

Artificial sweeteners induce glucose intolerance by altering the gut microbiota.

Nature , doi:10.1038/nature13793, (2014)

Non-caloric artificial sweeteners (NAS) are among the most widely used food additives worldwide, regularly consumed by lean and obese individuals alike. NAS consumption is considered safe and benefici...

Modulation of sweet taste by umami compounds via sweet taste receptor subunit hT1R2.

PLoS ONE 10(4) , e0124030, (2015)

Although the five basic taste qualities-sweet, sour, bitter, salty and umami-can be recognized by the respective gustatory system, interactions between these taste qualities are often experienced when...

Synonyms

tri-sweet

Aspartylphenylalanine methyl ester

Methyl L-α-aspartyl-L-phenylalaninate

Zero-Cal

Aspartame

Equal

Canderel

N-L-α-Aspartyl-L-phenylalanine 1-Methyl Ester

mer

Asp-Phe-Ome

ASPARTAM

E 951

L-Phenylalanine, L-α-aspartyl-, methyl ester

H-Asp-Phe-OMe

MFCD00002724

EINECS 245-261-3

N-(L-α-Aspartyl)-L-phenylalanine methyl ester

methyl L-a-aspartyl-L-phenylalaninate

(S)-3-Amino-4-(((S)-1-methoxy-1-oxo-3-phenylpropan-2-yl)amino)-4-oxobutanoic acid

NutraSweet

Methyl N-L-α-aspartyl-L-phenylalaninate

N-L-a-Aspartyl-L-phenylalanine-1-Methyl Ester

Asp-Phe methyl ester

L-Aspartyl-L-phenylalanine methyl ester

L-phenylalanine, L-a-aspartyl-, methyl ester

3-Amino-N-(a-carboxyphenethyl)succinamic Acid N-Methyl Ester

APM

β-Aspartame

Aspertame

Recommended......