CAS 3268-49-3|Methional

Introduction：Basic information about CAS 3268-49-3|Methional, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Chemical & Physical Properties
3. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
4. Safety Information
5. Customs
6. Articles30
7. Synonyms

Common Name	Methional
CAS Number	3268-49-3	Molecular Weight	104.171
Density	1.0±0.1 g/cm3	Boiling Point	168.2±23.0 °C at 760 mmHg
Molecular Formula	C₄H₈OS	Melting Point	-68°C
MSDS	ChineseUSA	Flash Point	61.1±0.0 °C
Symbol	GHS05, GHS06	Signal Word	Danger

Names

Name	3-methylthiopropanal
Synonym	More Synonyms

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
InChIKey	CLUWOWRTHNNBBU-UHFFFAOYSA-N
SMILES	CSCCC=O

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

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%

Articles30

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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...

Synonyms

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

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