Acesulfame

ACESULFAME K · Ansaimi · Acesulfam · RARECHEM AM UC 0205 · SWEET ONE · ACESULFAME POTASSIUM SALT · Ansemi · SUNETTE

https://huagongshe.com/ko/chemical/36573

식별자 및 물리적 특성

CAS No.	33665-90-6
분자식	C4H5NO4S
평균 분자량	163.15 g/mol
단동위원소 질량	162.99392881 g/mol
SMILES	CC1=CC(=O)NS(=O)(=O)O1
InChIKey	YGCFIWIQZPHFLU-UHFFFAOYSA-N
PubChem CID	36573
ChEMBL	CHEMBL176687
ChEBI	CHEBI:83501
EC No.	251-622-6
DTXSID	DTXSID0048006

화학 및 물리적 성질

XLogP	-0.3
극성 표면적	80.9
수소 결합 공여자 수	1
수소 결합 수용자 수	4
회전 가능 결합 수	0
무거운 원자 수	10
형식 전하	0
복잡도	283
맛	Sugar equivalence value relative to sucrose = 200Sweet taste ... bitter-metallic after tastethe sweetness potency relative to sucrose is about 200
밀도	1.83
Color/Form	Needles from benzene or chloroform
용해도	In water, 270 g/L at 20 °CSoluble in benzene, chloroform
Decomposition	When heated to decomposition emits toxic fumes of /sulfur oxides/. /Acesulfame potassium/
녹는점	123.2 °CMP: 225 °C /Acesulfame potatssium/123 - 123.5 °C123-123.5°
Physical Description	Solid[Merck Index]
Stability/Shelf Life	Stable under recommended storage conditions. /Acesulfame K/
Dissociation Constants	pKa = 2.0
Collision Cross Section	125.1 Å² [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID1030606]
Other Experimental Properties	Density: 1.83 g/cu cm30, 40 and 90 g/100 mL water at 20, 40 and 90 °C0.4, 5, 10, 15, and 23 g/100 mL ethanol, 80%, 60%, 40% and 20% (vol) ethanol at 20 °Csolubility in g/100 mL at 20 °C: 1.0 in methanol, 0.08 in acetone, about 13 in acetic acid, about 15 in dimethyl formamide, over 30 in dimethylsulfoxide, over 60 in formic acid /Acesulfame potassium/Mol wt 201.24. Colorless, odorless powder. Decomposition point about 225 °C. Density (solid) 1.81 g/cu cmdensity (bulk) 1.1-1.3 kg/cu dm. UV max: 227 nm (epsilon 1.0762X10+4). Very soluble in water, DMF, DMSO. Soluble in alcohol, glycerin-water. Solubilty in water (g/L): about 150 (0 °C)about 210 (10 °C)about 270 (20 °C)about 360 (30 °Cabout 460 (40 °C)about 580 (50 °C)about 830 (70 °C)about 1300 (100 °C). Solubility at 20 °C (g/L): methanol about 10ethanol (anhydrous) about 1glycerol (anhydrous) about 30glycerol/water (80:20, v/v) about 82glycerol/water (50:50, v/v) about 162acetone about 0.8glacial acetic acid about 130. Solubility at 23 °C (g/L): ethanol/water (80:20 v/v) about 46ethanol/water (60:40, v/v) about 100ethanol/water (40:60, v/v) about 155ethanol/water (20:80, v/v) about 221 /Acesulfame potassium salt/White, free-flowing crystalline powder /Acesulfame potassium/At higher concentrations, there is a detectable bitter and metallic off-taste similar to saccharin. The sweetness potency of acesulfame-K (100 to 200X, depending on the matching sucrose concentration) is considered to be about half that of saccharin, which is about the same as that of aspartame. /Acesulfame potassium/
pKa(산도 계수)	-0.28±0.40(Predicted)
용해도	20°C에서 270g/L
헨리 상수	1.0×103 mol/(m3Pa) at 25℃, HSDB (2015)
InChI	InChI=1S/C4H5NO4S/c1-3-2-4(6)5-10(7,8)9-3/h2H,1H3,(H,5,6)
InChIKey	YGCFIWIQZPHFLU-UHFFFAOYSA-N
SMILES	O1C(C)=CC(=O)NS1(=O)=O

안전 및 규제

GHS 분류	This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.WarningH315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 1 of 2 reports by companies.There is 1 notification provided by 1 of 2 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
규제 정보	Chemical: 1,2,3-Oxathiazin-4(3H)-one, 6-methyl-, 2,2-dioxide
유해성 요약	Potassium salt: Oral LD50 (rat) = 7,430 mg/kgNot irritating to rabbit skin but irritating to rabbit eyes90-day feeding study of rats produced minor effects at highest tested dose of 10%, but no serum enzyme, gross pathological, or histological changesNo adverse effects observed in two year feeding study of dogs (doses up to 3% corresponding to 900 mg/kg/day)No evidence of reproductive, developmental, or teratogenic toxicity in ratsEmergency treatment: Non-toxic ingestion[HSDB]
FDA 요건	Acesulfame potassium is a food additive permitted for direct addition to food for human consumption, as long as 1) the quantity of the substance added to food does not exceed the amount reasonably required to accomplish its intended physical, nutritive, or other technical effect in food, and 2) any substance intended for use in or on food is of appropriate food grade and is prepared and handled as a food ingredient. /Acesulfame potassium/

용도

Acesulfame-K is a non-nutritive sweetener also termed acesulfame potassium. it is a white, crystalline product that is 200 times sweeter than sucrose. it is not metabolized in the body. it has some metallic off-tastes. it is readily soluble and heat and acid stable. it provides a synergistic sweetening effect combined with other sweeteners. it is used in beverages, desserts, confectionery, and bakery products.