Methional

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Names

[ Name ]:
Methional

[Synonym ]:
3-Methylthiopropana
Propanal, 3-(methylthio)-
Propionaldehyde, 3- (methylthio)-
Propanal, 3- (methylthio)-
4-Thiapentanal
3-(Methylthio)propionaldehyde
3-(Methylthio)propanal
3-methylsulfanyl-propionaldehyde
EINECS 221-882-5
3-(Methylsulfanyl)propanal
3-methylsulfanylpropanal
MFCD00007022
Methional
3-(Methylmercapto)propionaldehyde
3-(Methylmercapto)propionaldehyde (3-(Methylthio)propanal
β-(Methylthio)propionaldehyde
MeSCH2CH2CHO

Chemical & Physical Properties

[ Density]:
1.0±0.1 g/cm3

[ Boiling Point ]:
168.2±23.0 °C at 760 mmHg

[ Melting Point ]:
-68°C

[ Molecular Formula ]:
C₄H₈OS

[ Molecular Weight ]:
104.171

[ Flash Point ]:
61.1±0.0 °C

[ Exact Mass ]:
104.029587

[ PSA ]:
42.37000

[ LogP ]:
0.71

[ Vapour density ]:
>1 (vs air)

[ Vapour Pressure ]:
1.6±0.3 mmHg at 25°C

[ Index of Refraction ]:
1.456

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UE2285000

CHEMICAL NAME :: Propionaldehyde, 3-(methylthio)-

CAS REGISTRY NUMBER :: 3268-49-3

BEILSTEIN REFERENCE NO. :: 1739289

LAST UPDATED :: 199712

DATA ITEMS CITED :: 10

MOLECULAR FORMULA :: C4-H8-O-S

MOLECULAR WEIGHT :: 104.18

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0546239 ** ACUTE TOXICITY DATA **

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 700 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - muscle weakness Gastrointestinal - alteration in gastric secretion

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0546239

TYPE OF TEST :: LC50 - Lethal concentration, 50 percent kill

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 5820 mg/m3/4H

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 49(1),85,1984

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1620 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 49(1),85,1984

TYPE OF TEST :: LC50 - Lethal concentration, 50 percent kill

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 5400 mg/m3/2H

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 49(1),85,1984

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 2500 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - excitement Lungs, Thorax, or Respiration - dyspnea

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0534366 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 83834 No. of Facilities: 21 (estimated) No. of Industries: 1 No. of Occupations: 3 No. of Employees: 207 (estimated)

Safety Information

[ Symbol ]:

GHS05, GHS06

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H302 + H332-H311-H315-H317-H318-H412

[ Precautionary Statements ]:
P261-P273-P280-P302 + P352 + P312-P305 + P351 + P338 + P310

[ Personal Protective Equipment ]:
Faceshields;full-face respirator (US);Gloves;Goggles;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
Xn:Harmful;

[ Risk Phrases ]:
R20;R36/37/38

[ Safety Phrases ]:
S26-S36/37/39-S45-S37/39

[ RIDADR ]:
UN 2785 6.1/PG 3

[ WGK Germany ]:
1

[ RTECS ]:
UE2285000

[ Packaging Group ]:
III

[ Hazard Class ]:
6.1(b)

[ HS Code ]:
29309070

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

Methyl mercaptan
COPPER(I) ACETATE
acrolein
ethene
1,1,3-tris-methylsulfanyl-propane
methionol
3-(Methylthio)propanenitrile
acetic acid 1-(4,5-dimethoxy-2-nitrobenzyloxy)-3-methylsulfanylpropyl ester
Glycerol
methional diethyl acetal

DownStream

N-Acetyl-DL-methionine
ETHYL 2-ACETAMIDO-4-(METHYLTHIO)BUTANOATE
1,3-bis(methylsulfanyl)propane
methionol
(1-amino-3-methylsulfanylpropyl)phosphonic acid
2-hydroxy-4-(methylseleno)butanoic acid
2-Hydroxy-4-(methylthio)butyric Acid
N-acetyl-L-methionine
N-Acetyl-DL-methionine
5-(2-Methylthioethyl)hydantoin

Customs

[ HS Code ]: 2930909090

[ Summary ]:
2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

Articles

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J. Agric. Food Chem. 63 , 7511-21, (2015)

To establish the odor profiles of three differently fabricated commercial Swiss Tilsit cheeses, analyses were conducted using headspace solid-phase microextraction gas chromatography-mass spectrometry...

Comparison of Aroma-Active Volatiles in Oolong Tea Infusions Using GC-Olfactometry, GC-FPD, and GC-MS.

J. Agric. Food Chem. 63 , 7499-510, (2015)

The aroma profile of oolong tea infusions (Dongdingwulong, DDWL; Tieguanyin, TGY; Dahongpao, DHP) were investigated in this study. Gas chromatography-olfactometry (GC-O) with the method of aroma inten...

2-Methyl-3-furanthiol and methional are possible off-flavors in stored orange juice: aroma-similarity, NIF/SNIF GC-O, and GC analyses.

J. Agric. Food Chem. 49(11) , 5425-32, (2001)

The occurrence of methional in fresh orange juice, and possible occurrence of beta-damascenone in heated orange juice, has been previously suggested. Here we report on the occurrence of 2-methyl-3-fur...