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  • 4727-41-7 Structure
  • Basic information

    1. Product Name: Sulfobetaine
    2. Synonyms: dimethylsulfonioacetate;SULPHOBETAINE;SULFOBETAINE;2-dimethylsulfonioethanoate;Sulfonium, (carboxymethyl)dimethyl-, inner salt;S,S-Dimethylthetin/DMT/Sulfobetaine;Thiobetaine
    3. CAS NO:4727-41-7
    4. Molecular Formula: C4H8O2S
    5. Molecular Weight: 120.17
    6. EINECS: N/A
    7. Product Categories: fine chemicals, specialty chemicals, intermediates, electronic chemical, organic synthesis
    8. Mol File: 4727-41-7.mol
    9. Article Data: 2
  • Chemical Properties

    1. Melting Point: 241-242 °C(Solv: ethanol (64-17-5))
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: Inert atmosphere,Room Temperature
    8. Solubility: N/A
    9. CAS DataBase Reference: Sulfobetaine(CAS DataBase Reference)
    10. NIST Chemistry Reference: Sulfobetaine(4727-41-7)
    11. EPA Substance Registry System: Sulfobetaine(4727-41-7)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 4727-41-7(Hazardous Substances Data)

4727-41-7 Usage

Description

Sulfobetaine, a zwitterionic chemical compound, is characterized by the presence of both positively and negatively charged chemical groups within the same molecule. This unique feature endows sulfobetaine with the ability to reduce surface tension, improve solubility and stability of formulations, and enhance the biocompatibility of materials. It is also recognized for its capacity to act as a biological buffer, maintaining a stable pH, which makes it a valuable asset in various fields, including personal care products, biomedical, pharmaceutical industries, and biochemistry.

Uses

Used in Personal Care Products:
Sulfobetaine is used as a surfactant for its ability to reduce surface tension, which aids in the formulation of products that are gentle on the skin and hair, while also providing effective cleansing properties.
Used in Biomedical and Pharmaceutical Industries:
Sulfobetaine is utilized as a component in formulations to improve the solubility and stability of various compounds, enhancing their bioavailability and therapeutic efficacy.
Used in Biochemistry:
Sulfobetaine is used as a biological buffer for its capacity to maintain a stable pH, which is crucial for numerous biochemical processes and cell culture applications, ensuring consistent environmental conditions for accurate experimental outcomes.

Check Digit Verification of cas no

The CAS Registry Mumber 4727-41-7 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 4,7,2 and 7 respectively; the second part has 2 digits, 4 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 4727-41:
(6*4)+(5*7)+(4*2)+(3*7)+(2*4)+(1*1)=97
97 % 10 = 7
So 4727-41-7 is a valid CAS Registry Number.
InChI:InChI=1/C5H11NO5S/c1-6(2,3)4(5(7)8)12(9,10)11/h4H,1-3H3,(H-,7,8,9,10,11)

4727-41-7SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name (dimethylsulfonio)acetate

1.2 Other means of identification

Product number -
Other names Carboxymethyl-dimethyl-sulfonium-betain

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:4727-41-7 SDS

4727-41-7Synthetic route

dimethylsulfide
75-18-3

dimethylsulfide

bromoacetic acid
79-08-3

bromoacetic acid

dimethylsulfonioacetate
4727-41-7

dimethylsulfonioacetate

Conditions
ConditionsYield
at 55℃; for 0.0333333h;61%
carboxymethyl-dimethyl sulfonium ; hydroxide
625-63-8, 19643-24-4

carboxymethyl-dimethyl sulfonium ; hydroxide

dimethylsulfonioacetate
4727-41-7

dimethylsulfonioacetate

Conditions
ConditionsYield
bei 8-taegigem Stehen im Vakuum ueber Schwefelsaeure;
methylsulfanyl-acetic acid
2444-37-3

methylsulfanyl-acetic acid

dimethyl sulfate
77-78-1

dimethyl sulfate

dimethylsulfonioacetate
4727-41-7

dimethylsulfonioacetate

Conditions
ConditionsYield
With water in neutraler, schwach saurer oder schwach alkal.Loesung;
ethyl (dimethylsulfuranylidene)acetate
7380-81-6

ethyl (dimethylsulfuranylidene)acetate

dimethylsulfonioacetate
4727-41-7

dimethylsulfonioacetate

Conditions
ConditionsYield
In water Heating;
(ethoxycarbonylmethyl)dimethylsulfonium bromide
5187-82-6

(ethoxycarbonylmethyl)dimethylsulfonium bromide

dimethylsulfonioacetate
4727-41-7

dimethylsulfonioacetate

Conditions
ConditionsYield
With silver(l) oxide
(Dimethylsulfuranyliden)essigsaeure-methylester
103548-67-0

(Dimethylsulfuranyliden)essigsaeure-methylester

dimethylsulfonioacetate
4727-41-7

dimethylsulfonioacetate

Conditions
ConditionsYield
In tetrahydrofuran
methylsulfanyl-acetic acid
2444-37-3

methylsulfanyl-acetic acid

water
7732-18-5

water

dimethyl sulfate
77-78-1

dimethyl sulfate

dimethylsulfonioacetate
4727-41-7

dimethylsulfonioacetate

Conditions
ConditionsYield
in neutraler, schwach saurer oder schwach alkal. Loesung;
L-homocysteine
6027-13-0

L-homocysteine

A

dimethylsulfonioacetate
4727-41-7

dimethylsulfonioacetate

B

betaine
107-43-7

betaine

C

3-dimethylsulfonio-proionoic acid betaine

3-dimethylsulfonio-proionoic acid betaine

Conditions
ConditionsYield
ueber die Methylierung in Gegenwart von Transmethylase-Praeparaten aus Leber und Niere unter anaeroben Bedingungen;
dimethylthetin-base

dimethylthetin-base

dimethylsulfonioacetate
4727-41-7

dimethylsulfonioacetate

Conditions
ConditionsYield
bei 8-taegigem Stehen im Vakuum uebeer Schwefelsaeure;
dimethylsulfonioacetate
4727-41-7

dimethylsulfonioacetate

trichloroacetic acid anhydride
4124-31-6

trichloroacetic acid anhydride

Dimethylsulfonium-di-trichloracetyl-methylid

Dimethylsulfonium-di-trichloracetyl-methylid

Conditions
ConditionsYield
at 0 - 40℃; for 2h;71.4%
dimethylsulfonioacetate
4727-41-7

dimethylsulfonioacetate

trifluoroacetic anhydride
407-25-0

trifluoroacetic anhydride

Dimethylsulfonium-di-trifluoracetyl-methylid
104917-89-7

Dimethylsulfonium-di-trifluoracetyl-methylid

Conditions
ConditionsYield
at 0 - 23℃; for 5h;65%
dimethylsulfonioacetate
4727-41-7

dimethylsulfonioacetate

4-nitrobenzenediazonium tetrafluoroborate
456-27-9

4-nitrobenzenediazonium tetrafluoroborate

1,5-Bis-(4-nitrophenyl)-3-dimethylsulfonium-formazan-tetrafluorborat

1,5-Bis-(4-nitrophenyl)-3-dimethylsulfonium-formazan-tetrafluorborat

Conditions
ConditionsYield
In acetic acid at 20℃; for 40h;30%
dimethylsulfonioacetate
4727-41-7

dimethylsulfonioacetate

Chloroacetic anhydride
541-88-8

Chloroacetic anhydride

Dimethylsulfonium-di-chloracetyl-methylid

Dimethylsulfonium-di-chloracetyl-methylid

Conditions
ConditionsYield
at 40℃; for 0.833333h;27%
dimethylsulfonioacetate
4727-41-7

dimethylsulfonioacetate

Trichloroacetyl chloride
76-02-8

Trichloroacetyl chloride

Dimethylsulfonium-trichloracetyl-methylid-hydrochlorid-hydrat

Dimethylsulfonium-trichloracetyl-methylid-hydrochlorid-hydrat

Conditions
ConditionsYield
at 20 - 42℃; for 4h;11.6%
2-amino-4-mercaptobutyric acid
454-29-5

2-amino-4-mercaptobutyric acid

dimethylsulfonioacetate
4727-41-7

dimethylsulfonioacetate

DL-methionine
59-51-8

DL-methionine

Conditions
ConditionsYield
at 38℃; Kinetics; Geschwindigkeit in Gegenwart verschiedener Leberfermentpraeparate unter anaeroben Bedingungen; Einfluss des pH;
dimethylsulfonioacetate
4727-41-7

dimethylsulfonioacetate

p-toluidine
106-49-0

p-toluidine

A

methyl p-tolylcarbamate
5602-96-0

methyl p-tolylcarbamate

B

N-methyl-p-toluidine
623-08-5

N-methyl-p-toluidine

C

1,3-di-p-tolylurea
621-00-1

1,3-di-p-tolylurea

Conditions
ConditionsYield
at 140℃;
dimethylsulfonioacetate
4727-41-7

dimethylsulfonioacetate

aniline
62-53-3

aniline

A

N-phenylglycine anilide
2567-62-6

N-phenylglycine anilide

B

N-methylaniline
100-61-8

N-methylaniline

C

bis(diphenyl)urea
102-07-8

bis(diphenyl)urea

Conditions
ConditionsYield
at 140℃;
dimethylsulfonioacetate
4727-41-7

dimethylsulfonioacetate

phenol
108-95-2

phenol

A

dimethylsulfide
75-18-3

dimethylsulfide

B

methylsulfanyl-acetic acid
2444-37-3

methylsulfanyl-acetic acid

C

methoxybenzene
100-66-3

methoxybenzene

D

2-phenoxyacetic acid
122-59-8

2-phenoxyacetic acid

Conditions
ConditionsYield
at 140℃;
dimethylsulfonioacetate
4727-41-7

dimethylsulfonioacetate

(3E)-1,4-diphenylbut-3-en-1-one
17572-77-9, 32363-55-6, 3420-52-8

(3E)-1,4-diphenylbut-3-en-1-one

(+/-)-2c-phenyl-3t-benzoyl-cyclopropane-carboxylic acid-(1r)-methyl ester
23511-08-2, 23511-09-3, 120201-78-7

(+/-)-2c-phenyl-3t-benzoyl-cyclopropane-carboxylic acid-(1r)-methyl ester

2c-benzoyl-3t-phenyl-cyclopropane-r-carboxylic acid methyl ester
23511-08-2, 23511-09-3, 120201-78-7

2c-benzoyl-3t-phenyl-cyclopropane-r-carboxylic acid methyl ester

Conditions
ConditionsYield
(i) NaH, DMSO, (ii) /BRN= 102415/; Multistep reaction;
3-methylbutyric acid
503-74-2

3-methylbutyric acid

dimethylsulfonioacetate
4727-41-7

dimethylsulfonioacetate

methyl 3-methylbutanoate
556-24-1

methyl 3-methylbutanoate

2.6-dimethylphenol
576-26-1

2.6-dimethylphenol

dimethylsulfonioacetate
4727-41-7

dimethylsulfonioacetate

2-methoxy-1,3-dimethylbenzene
1004-66-6

2-methoxy-1,3-dimethylbenzene

Mesitol
527-60-6

Mesitol

dimethylsulfonioacetate
4727-41-7

dimethylsulfonioacetate

2,4,6-trimethylanisole
4028-66-4

2,4,6-trimethylanisole

4,6-dichloro-2-methylphenol
1570-65-6

4,6-dichloro-2-methylphenol

dimethylsulfonioacetate
4727-41-7

dimethylsulfonioacetate

2,4-dichloro-6-methyl-anisole
13334-73-1

2,4-dichloro-6-methyl-anisole

dimethylsulfonioacetate
4727-41-7

dimethylsulfonioacetate

3,5-Dimethylphenol
108-68-9

3,5-Dimethylphenol

3,5-dimethylmethoxybenzene
874-63-5

3,5-dimethylmethoxybenzene

dimethylsulfonioacetate
4727-41-7

dimethylsulfonioacetate

malonic acid dimethyl ester
108-59-8

malonic acid dimethyl ester

methyl-malonic acid dimethylester
609-02-9

methyl-malonic acid dimethylester

dimethylsulfonioacetate
4727-41-7

dimethylsulfonioacetate

2,4,6-Trichlorophenol
88-06-2

2,4,6-Trichlorophenol

2,4,6-trichloroanisole
87-40-1

2,4,6-trichloroanisole

dimethylsulfonioacetate
4727-41-7

dimethylsulfonioacetate

Conditions
ConditionsYield
With e1-aq Rate constant; Ambient temperature;
dimethylsulfonioacetate
4727-41-7

dimethylsulfonioacetate

water
7732-18-5

water

methylsulfanyl-acetic acid
2444-37-3

methylsulfanyl-acetic acid

dimethylsulfonioacetate
4727-41-7

dimethylsulfonioacetate

aqueous NaOH-solution

aqueous NaOH-solution

A

glycolic Acid
79-14-1

glycolic Acid

B

methylsulfanyl-acetic acid
2444-37-3

methylsulfanyl-acetic acid

4727-41-7Relevant articles and documents

Casanova,Rutolo

, p. 2347 (1969)

One-electron Reduction of Sulphonium Salts in Aqueous Solution: a Pulse Radiolysis Study

Bonifacic, Marija,Anklam, Elke

, p. 243 - 248 (2007/10/02)

Absolute rate constants have been measured for the reduction of 1-alkylthiolanium (1a-c), 1-alkylthianium (2a-e), 1-(n-carboxyalkyl)thiolanium (3a,b) and 1-(n-carboxyalkyl)thianium (4a,b) salts, and ω-dimethylsulphonioalkanoic acids (5a,b), including biologically active S-methylmethionine (6) and dimethyl-β-propiothetin (5b), by hydrated electrons in aqueous solutions using the pulse radiolysis method.This reaction was found to occur very rapidly (k in the range 109-1010 dm3mol-1s-1), the individual rate constants being dependent on the electron inductive power of the substituents on the positive sulphur centre.The sulphuranyl radical R3S., a possible reaction intermediate, could not be detected within the 0.1 μs time resolution of the applied technique.No reaction was observed between S-methylmethionine and CO2.- or Me2C.OH under experimental conditions.The one-electron reduction potential of this sulphonium salt has been estimated to be -aq. were characterized by using p-benzoquinone as a radical scavenger.It was found that ring opening is the predominant process rather than the cleavage of methyl or methyl radicals.

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