CAS No.22839-47-0,Aspartame Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	22839-47-0
Name:	Aspartame
Article Data:	50

Formula:	C₁₄H₁₈N₂O₅
Molecular Weight:	294.307
Synonyms:	r-Sweet;(3S)-3-amino-3-[[(1S)-1-methoxycarbonyl-2-phenyl-ethyl]carbamoyl]propanoic acid;Sweet cornSweet dipeptide;(3S)-3-azaniumyl-3-[[(1S)-1-methoxycarbonyl-2-phenyl-ethyl]carbamoyl]propanoate;NutraSweet;H-Asp-Phe-OMe;3-amino-3-[(1-methoxycarbonyl-2-phenyl-ethyl)carbamoyl]propanoic acid;L-Phenylalanine,L-R-aspartyl-,2-methyl ester;Aspartame (USAN);Aspartame FCC 4;Succinamic acid, 3-amino-N-(alpha-carboxyphenethyl)-,N-methyl ester;Aspartame FCC4;Aspartame Granula;β-Aspartame;
EINECS:	245-261-3
Density:	1.28 g/cm³
Melting Point:	242-248 °C
Boiling Point:	535.8 °C at 760 mmHg
Flash Point:	277.8 °C
Solubility:	Soluble in formic acid, dimethyl sulfoxide. Sparingly soluble in water and ethanol.
Appearance:	White powder or tablets
Safety:	22-24/25
PSA:	118.72000
LogP:	0.78010

Synthetic route

: 27446-39-5
N-[N-[(phenylmethoxy)carbonyl]-L-α-aspartyl]-L-phenylalanine 4-(1,1-dimethylethyl) 1-methyl ester

: 22839-47-0
L-Asp-L-Phe-OMe

Conditions

Conditions	Yield
With hydrogen fluoride; methoxybenzene at 0℃; for 0.5h;	98%

: 33605-72-0
N-carbobenzyloxy-L-aspartyl-L-phenylalanine methyl ester

: 22839-47-0
L-Asp-L-Phe-OMe

Conditions

Conditions	Yield
With hydrogen; palladium on activated charcoal	97%
With hydrogen; palladium

: 140233-83-6
(S)-N-((S)-1-Methoxycarbonyl-2-phenyl-ethyl)-3-(2-p-tolyl-acetylamino)-succinamic acid

A: 622-47-9
4-tolylacetic acid

B: 22839-47-0
L-Asp-L-Phe-OMe

Conditions

Conditions	Yield
With penicillin amidase at 25℃; for 3.8h; Rate constant; Product distribution;	A n/a B 90%

: 101623-22-7
N-phenacetyl-α-L-aspartyl-L-phenylalanine methyl ester

A: 103-82-2
phenylacetic acid

B: 22839-47-0
L-Asp-L-Phe-OMe

Conditions

Conditions	Yield
With pH 7.5; penicillinacylase on Eupergit C beads In water at 28℃;	A n/a B 87%
With penicillin amidase at 25℃; for 2.5h;	A n/a B 99 % Chromat.
With penicillin amidase at 25℃; for 2.5h; Rate constant; Product distribution;	A n/a B 99 % Chromat.

: 5910-52-1
α-L-aspartyl-L-phenylalanine methyl ester hydrochloride

: 22839-47-0
L-Asp-L-Phe-OMe

Conditions

Conditions	Yield
With sodium carbonate In water at 20℃; for 0.5h; pH=5;	84%
With sodium carbonate In water pH=5.2;	40%

: 40944-73-8
methyl ester of N-tert-butyloxycarbonyl-L-aspartyl-L-phenylalanine

: 22839-47-0
L-Asp-L-Phe-OMe

Conditions

Conditions	Yield
With hydrogenchloride In 1,4-dioxane for 0.5h;	83%
With TFA-anisole

: 33605-76-4
N-formylaspartame

: 22839-47-0
L-Asp-L-Phe-OMe

Conditions

Conditions	Yield
With hydroxylamine hydrochloride In methanol	83%

: 2577-90-4
methyl (2S)-2-amino-3-phenylpropanoate

: 131021-87-9
<(4S)-2,2-bis(trifluoromethyl)-5-oxo-1,3-oxazolidine-4-yl>acetate

: 22839-47-0
L-Asp-L-Phe-OMe

Conditions

Conditions	Yield
In diethyl ether at 20℃; for 24h;	72%
In diethyl ether; ethyl acetate Ambient temperature;

4N-hydrochloric acid: 4N-hydrochloric acid

: 33605-76-4
N-formylaspartame

: 22839-47-0
L-Asp-L-Phe-OMe

Conditions

Conditions	Yield
In water; tert-butyl alcohol	70%

: (S)-3-Formylamino-N-(1-methoxycarbonyl-2-phenyl-ethyl)-succinamic acid

: 22839-47-0
L-Asp-L-Phe-OMe

Conditions

Conditions	Yield
With hydrogenchloride In methanol for 0.5h; Heating;	65%

Raw Materials

Downstream Products

67-56-1

56-84-8

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Chemistry

Molecular Structure:

Molecular Formula: C₁₄H₁₈N₂O₅
Molecular Weight: 294.3031
IUPAC Name: (3S)-3-Amino-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
Synonyms of Aspartame (CAS NO.22839-47-0): L-Phenylalanine, L-alpha-aspartyl-, 2-methyl ester ; L-Phenylalanine, N-L-alpha-aspartyl-, 1-methyl ester ; Succinamic acid, 3-amino-N-(alpha-carboxyphenethyl)-, N-methyl ester, stereoisomer
CAS NO: 22839-47-0
Classification Code: Flavoring Agents ; Food Additives ; Human Data ; Reproductive Effect ; Sweetener ; Sweetening Agents
Melting point: 242-248 °C
Index of Refraction: 1.557
Molar Refractivity: 74.01 cm³
Molar Volume: 229.7 cm³
Surface Tension: 55 dyne/cm
Density: 1.28 g/cm³
Flash Point: 277.8 °C
Enthalpy of Vaporization: 85.5 kJ/mol
Boiling Point: 535.8 °C at 760 mmHg
Vapour Pressure: 2.6E-12 mmHg at 25°C

Uses

Aspartame (CAS NO.22839-47-0) is an artificial sweetener. It is one of the main sugar substitutes used by people with diabetes.

Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	> 5gm/kg (5000mg/kg)		Toksikologicheskii Vestnik. Vol. (3), Pg. 37, 1996.
mouse	LD50	oral	> 10gm/kg (10000mg/kg)		Toksikologicheskii Vestnik. Vol. (3), Pg. 37, 1996.
rat	LD50	intraperitoneal	> 5gm/kg (5000mg/kg)		Toksikologicheskii Vestnik. Vol. (3), Pg. 37, 1996.
rat	LD50	oral	> 10gm/kg (10000mg/kg)		Toksikologicheskii Vestnik. Vol. (3), Pg. 37, 1996.
women	TDLo	oral	3710ug/kg (3.71mg/kg)	SKIN AND APPENDAGES (SKIN): "DERMATITIS, ALLERGIC: AFTER SYSTEMIC EXPOSURE"	Annals of Internal Medicine. Vol. 104, Pg. 207, 1986.

Safety Profile

Human systemic effects by ingestion: allergic dermatitis. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of NO_x.
Safety Statements of Aspartame (CAS NO.22839-47-0): 22-24/25
S22: Do not breathe dust.
S24/25: Avoid contact with skin and eyes.
WGK Germany: 2

Analytical Methods

For occupational chemical analysis use NIOSH: Aspartame 5031.

Specification

The artificial sweetener Aspartame (CAS NO.22839-47-0) has been the subject of controversy since its initial approval by the U.S. Food and Drug Administration (FDA) in 1974. Concerns have been raised about the quality of the research supporting its safety and the long-term effects that increased consumption could have on the public.

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