5-(2-Hydroxyethyl)-4-methylthiazole

Iupac Name：2-(4-methyl-1,3-thiazol-5-yl)ethanol

Molecular Weight：143.20676

Modify Date.: 2022-10-25 19:22

Introduction: 4-Methy 1-5-thiazoleethanol has the characteristic disagreeableodor of thiazole compounds. It is somewhat pleasant and nut-likeon extreme dilution. It may be prepared by reduction of ethyl-4-methylthiazole-5-acetate using LiAlH4; by condensation of thioformamidewith bromoacetopropanol or with y,y-dichloro-y,ydiacetodipropylether. View more+

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1. Names and Identifiers

1.1 Name: 5-(2-Hydroxyethyl)-4-methylthiazole
1.2 Synonyms: 2-(4-Methyl-1,3-thiazol-5-yl)ethanol 2-(4-Methylthiazole-5-yl)ethanol 4-Methyl-5-(Β-hydroxyethyl)thiazole 4-Methyl-5-beta-hydroxyxyethylthiazole 4-Methyl-5-hydroethylthiazole 4-Methyl-5-thiazole 4-methyl-5-thiazoleethano 4-Methyl-5-Thiazoleethanol 4-Methyl-5-thiazolylethanol 4-Methylthiazol-5ylethanol 4-methylthiazole-5-thiazoleethanol 5-(2-hydroxyethyl)-4-methyl-1,3-thiazole 5-(Β-Hydroxyethyl)-4-methylthiazole 5-Thiazoleethanol, 4-methyl- EINECS 205-272-6 FEMA 3204 FEMA NUMBER 3204 Hemineurine METHYLHYDROXYETHYLTHIAZOLE MFCD00005339 MHT Sulfurol sulfurol,4-methyl-5-hydroxyethyl-thiazole SULPHUROL ENHANCER T5N CSJ D2Q E1 thiaminethiazole

1.3 CAS No.: 137-00-8

1.4 CID: 1136

1.5 EINECS(EC#): 205-272-6

1.6 Molecular Formula: C6H9NOS (isomer)

1.7 Inchi: InChI=1S/C6H9NOS/c1-5-6(2-3-8)9-4-7-5/h4,8H,2-3H2,1H3

1.8 InChkey: BKAWJIRCKVUVED-UHFFFAOYSA-N

1.9 Canonical Smiles: CC1=C(SC=N1)CCO

1.10 Isomers Smiles: CC1=C(SC=N1)CCO

2. Properties

2.1 Density: 1.19

2.1 Melting point: < 25 °C

2.1 Boiling point: 135℃ (7 torr)

2.1 Refractive index: 1.548-1.551

2.1 Flash Point: 109.7 °C

2.1 Precise Quality: 143.04000

2.1 PSA: 61.36000

2.1 logP: 0.98630

2.1 Solubility: alcohol: soluble(lit.)

2.2 Appearance: Colorless to light yellow liquid

2.3 Storage: Ambient temperatures.

2.4 Chemical Properties: It appears as colorless to pale yellow viscous oily liquid. The color will turn dark after being subject to long-term storage. It emit unpleasant thiophene compound odor with high dilution generating nut aroma. The boiling point is 103 ° C (133 Pa), or 135 ° C (933 Pa). It is easily soluble in water, soluble in ethanol, ether, benzene and chloroform.

2.5 Color/Form: deep yellow

2.6 Odor: meaty, roasted odor

2.7 pKa: 14.58±0.10(Predicted)

2.8 Water Solubility: Soluble

2.9 Stability: Stable under normal temperatures and pressures.

2.10 StorageTemp: 2-8°C

3. Use and Manufacturing

3.1 Definition: ChEBI: A 1,3-thiazole that is thiazole substituted by a methyl group at position 4 and a 2-hydroxyethyl group at position 5.

4. Safety and Handling

4.1 Symbol: GHS07;

4.1 Hazard Codes: Xi

4.1 Signal Word: Warning

4.1 Risk Statements: R36/37/38

4.1 Safety Statements: S24/25

4.1 Hazard Declaration: H315; H319; H335

4.1 RIDADR: UN3334 9

4.1 Caution Statement: P261-P305 + P351 + P338

4.1 WGK Germany: 3

4.1 Safety: Hazard Codes: ? Xi
The Risk Statements:
36/37/38:? Irritating to eyes, respiratory system and skin?
The Safety Statements:
26:? In case of contact with eyes, rinse immediately with plenty of water and seek medical advice?
36:? Wear suitable protective clothing?
7/9:? Keep container tightly closed and in a well-ventilated place?
24/25:? Avoid contact with skin and eyes?
WGK Germany: 3
F:13
Hazard Note:? Irritant/Stench

4.2 Sensitive: Stench

4.3 Specification: ?4-Methyl-5-thiazoleethanol , its cas register number is 137-00-8. It also can be called Sulfurol ; 4-Methyl-5-(2'-hydroxyethyl)-thiazole ; 5-(2-Hydroxyethyl)-4-methylthiazole ; 4-Methyl-5-beta-hydroxyethyl thiazole ; and 4-Methyl-5-hydroxyethylthiazole . It is hazardous, so the first aid measures and others should be known. Such as: When on the skin:?Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Or in the eyes:?Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. While, it's inhaled: Remove from exposure and move to fresh air immediately. Then you have the ingesting of the product:?Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
In addition,? 4-Methyl-5-thiazoleethanol (CAS NO.137-00-8)? could be stable under normal temperatures and pressures. It is not compatible with strong oxidizing agents, and you must not take it with incompatible materials. And also prevent it to broken down into hazardous decomposition products:?Nitrogen oxides, carbon monoxide, oxides of sulfur, irritating and toxic fumes and gases, carbon dioxide, nitrogen.

4.4 Toxicity: ?4-Methyl-5-thiazoleethanol (CAS NO.137-00-8) hasn't been listed as a carcinogen by NTP, IARC, ACGIH, or CA Prop 65.

5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s)	No symbol.
Signal word	No signal word.
Hazard statement(s)	none
Precautionary statement(s)
Prevention	none
Response	none
Storage	none
Disposal	none

2.3 Other hazards which do not result in classification

none

View all

6. NMR Spectrum

13C NMR : Predict

1H NMR : Predict

Predict 1H proton NMR

7. Synthesis Route

137-00-8Total: 17 Synthesis Route

59-43-8 253 Suppliers

137-00-8 280 Suppliers

73-68-7 18 Suppliers

Literatures:
Monatshefte fur Chemie, , vol. 144, # 9 p. 1307 - 1317
Yield: null

59-43-8 253 Suppliers

137-00-8 280 Suppliers

2908-73-8

Literatures:
Zoltewicz, John A.; Uray, Georg Journal of Organic Chemistry, 1981 , vol. 46, # 11 p. 2398 - 2400
Yield: null

38205-55-9 6 Suppliers

137-00-8 280 Suppliers

Literatures:
Chemische Berichte, , vol. 86, p. 1404,1406
Yield: null

View all

8. Precursor and Product

precursor:

67-03-8

78450-94-9

127-52-6

38205-55-9

63141-05-9

100502-51-0

7732-18-5

115-08-2

760210-61-5

55289-66-2

71-43-2

70-16-6

59-43-8

13051-49-5

75501-62-1

68-11-1

663179-26-8

58-86-6

52-90-4

View all

product :

614-05-1

67-03-8

138536-13-7

54016-70-5

7598-25-6

82294-70-0

324742-96-3

42784-64-5

20485-41-0

533-45-9

4568-71-2

70-16-6

1759-28-0

16311-69-6

853261-35-5

7478-09-3

58981-35-4

6001-74-7

165685-93-8

7770-93-6

View all

9. Other Information

9.0 Merck: 14,6126

9.1 BRN: 114249

9.2 毒性: GRAS(FEMA)。

9.3 Content analysis: It was determined by gas chromatography (GT-10-4) using a nonpolar column method.

9.4 Usage limit FEMA: soft drinks, cold drinks, candy, baked goods, jelly, pudding, jelly sugar, seasonings, meat products, meat soup, milk and dairy products as well as cereal product: 55.0mg/kg.

9.5 Chemical properties: It appears as colorless to pale yellow viscous oily liquid. The color will turn dark after being subject to long-term storage. It emit unpleasant thiophene compound odor with high dilution generating nut aroma. The boiling point is 103 ° C (133 Pa), or 135 ° C (933 Pa). It is easily soluble in water, soluble in ethanol, ether, benzene and chloroform.

9.6 Application

Used as temporarily allowable food spices;
For nuts, dairy products, meat products, etc., as pharmaceutical intermediates;
Used for the deployment of chocolate, milk and nuts

9.7 Preparation: It is obtained from the reduction of 4-methyl thiazole 5-ethyl acetate reduction with lithium aluminum hydride.

9.8 Description: 4-Methy 1-5-thiazoleethanol has the characteristic disagreeable odor of thiazole compounds. It is somewhat pleasant and nut-like on extreme dilution. It may be prepared by reduction of ethyl- 4-methylthiazole-5-acetate using LiAlH4; by condensation of thioformamide with bromoacetopropanol or with y,y-dichloro-y,ydiacetodipropyl ether.

9.9 Chemical Properties: 4-Methyl-5-thiazoleethanol has a disagreeable odor typical of thiazole compounds; somewhat pleasant, reminiscent of beef and nut-like, on extreme dilution

9.10 Chemical Properties: Colorless to light yellow liqui

9.11 Occurrence: Reported found in grilled and roasted beef, cognac, brandy, Finnish whiskey, cocoa, peanuts, beans and malt.

9.12 Uses: 4-Methyl-5-thiazoleethanol has been used in the synthesis of novel thiazolium halogenide ionic liquids.

10. Computational chemical data

Molecular Weight: 143.20676g/mol
Molecular Formula: C₆H₉NOS
Compound Is Canonicalized: True
XLogP3-AA: null
Exact Mass: 143.04048508
Monoisotopic Mass: 143.04048508
Complexity: 89.1
Rotatable Bond Count: 2
Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 3
Topological Polar Surface Area: 61.4
Heavy Atom Count: 9
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADccBiIABAAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAABgAAAHgQACAAACAih1gaGgRIIEgikAQRhRAAA8KBxCDgAWBQ4QAgAMAJggAAEQAAkQAFISAKgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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4-Methyl-5-Hydroxyethyl Thiazole Sulfurol CAS 137-00-8

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Sulfurol CAS 137-00-8