Neotame

Description

Neotame is identified by CAS 165450-17-9, molecular formula C20H30N2O5 and molecular weight 378.21 g/mol. UNII VJ597D52EX; ChEBI 83503; InChIKey HLIAVLHNDJUHFG-HOTGVXAUSA-N. Melting Point: 81 °C to 84 °C; pH: 5,0-7,0 (0,5 % aqueous solution).

Identification

CAS Registry Number	165450-17-9
PubChem CID	9810996
Molecular formula	C20H30N2O5
Molecular weight	378.21 g/mol
IUPAC name	(3S)-3-(3,3-dimethylbutylamino)-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
InChIKey	HLIAVLHNDJUHFG-HOTGVXAUSA-N
UNII (FDA)	VJ597D52EX
ChEBI ID	CHEBI:83503

Computed Descriptors

Molecular Weight	378.5
XLogP3	-0.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	12
Exact Mass	378.21547206
Monoisotopic Mass	378.21547206
Topological Polar Surface Area	105
Heavy Atom Count	27
Formal Charge	0

Physical & Chemical Properties

Melting Point	81 °C to 84 °C
pH	5,0-7,0 (0,5 % aqueous solution)

Physical description & handling notes

• white to off-white powder
• Clean sweet taste without bitter, metallic or off flavors
• Approximately 8000 times sweeter than sucrose or approximately 40 times sweeter than its analogue, aspartame.
• 4,75 % (w/w) at 60 °C in water, soluble in ethanol and ethyl acetate
• pKa1 = 4.11; pKa2 = 7.70; pKa3 = 6.45

Regulatory Status

Regulatory & Food Contact	FDA Substance added to food: FLAVOR ENHANCER, NON-NUTRITIVE SWEETENER FLAVOUR_ENHANCER; SWEETENER: Food Additives JECFA ADI: 0-2 mg/kg bw JECFA established an ADI of 0–2 mg/kg of body weight for neotame on the basis of a NOEL of 200 mg/kg of body TRS 922-JECFA 61/30 FAS 52-JECFA 61/85
GHS notification summary	100% (5 / 5)

GHS Hazard Classification

GHS notification summary	100% (5 / 5)

Documented Uses

• Food Additives -> FLAVOUR_ENHANCER; SWEETENER -> JECFA Functional Classes
• Neotame is manufactured by the reaction of aspartame and 3,3-dimethylbutyraldehyde, followed by purification, drying and milling.
• Preparation: C. Nofre, J.-M. Tinti, FR 2697844; eidem, US 5480668 (1994, 1996)
• The most potent commercial sweetener to date (approximately 2005). It is approximately 8000 times sweeter than sucrose or approximately 40 times sweeter than its analogue, aspartame. ... Approved by FDA as a general purpose sweetener in 2002. ... more commonly used as a partial substitution of sugar or high fructose corn syrup, and in blends with other high potency sweeteners, instead of a stand alone sweetener.
• Add sweetness with or without the extra calories ... /in/ beverages, baked goods, confections, table-top sugar, substitutes, many processed foods
• Reported to be 6000 to 10000 times sweeter than sucrose.

Synonyms

Neotame; 165450-17-9; N-(N-(3,3-dimethylbutyl)-L-alpha-aspartyl)-L-phenylalanine 1-methyl ester; VJ597D52EX; INS NO.961; DTXSID50167950; INS-961; CHEBI:83503; NC-00723; E 961; E-961; RefChem:165409; DTXCID2090441; 3-((3,3-dimethylbutyl)amino)-3-((1-methoxy-1-oxo-3-phenylpropan-2-yl)carbamoyl)propanoic acid; (S)-3-((3,3-Dimethylbutyl)amino)-4-(((S)-1-methoxy-1-oxo-3-phenylpropan-2-yl)amino)-4-oxobutanoic acid; Neotame [NF]

Frequently Asked Questions

What are the CAS number and molecular formula of Neotame?

CAS 165450-17-9; molecular formula C20H30N2O5; molecular weight 378.21 g/mol.

What other names is Neotame known by?

Neotame, 165450-17-9, N-(N-(3,3-dimethylbutyl)-L-alpha-aspartyl)-L-phenylalanine 1-methyl ester, VJ597D52EX, INS NO.961, DTXSID50167950.

What is the regulatory status of Neotame?

Documented regulatory listings: FDA Substance added to food: FLAVOR ENHANCER, NON-NUTRITIVE SWEETENER; FLAVOUR_ENHANCER; SWEETENER: Food Additives; JECFA ADI: 0-2 mg/kg bw.

Is Neotame classified as hazardous?

100% of GHS notifications report no hazard classification (5 of 5).

What are the key physical properties of Neotame?

Melting Point: 81 °C to 84 °C; pH: 5,0-7,0 (0,5 % aqueous solution).

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.