2-mercaptopropionic acid 79-42-5

2-mercaptopropionic acid

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IUPAC name :

2-sulfanylpropanoic acid

InChI :

InChI=1/C3H6O2S/c1-2(6)3(4)5/h2,6H,1H3,(H,4,5)

InChIKey :

PMNLUUOXGOOLSP-UHFFFAOYAP

SMILES :

CC(C(=O)O)S

cas number :	79-42-5
(EINECS) number :	201-206-5
beilstein number :	0506218
fema number :	3180
coe number :	11790
jecfa number :	551
fl. number :	12.039
molar refractivity :	25.36 ± 0.3 cm3
parachor :	222.5 ± 4.0 cm3
index of refraction :	1.494 ± 0.02
surface tension :	42.6 ± 3.0 dyne/cm
density :	1.218 ± 0.06 g/cm3
polarizability :	10.05 ± 0.5 10-24cm3
XlogP :	0.40
molecular weight :	106.1435400
formula :	C3 H6 O2 S
NMR Predictor :	Predict

export tariff code :

2918.11.0000

fda reg :

unspecified

Suppliers :

Endeavour :

2-Mercaptopropionic acid
98%

Frutarom :

2-MERCAPTOPROPIONIC ACID
≥95.00%, Kosher
Odor: Cheese, Sour

Inoue :

ALPHA-MERCAPTOPROPIONIC ACID

Penta :

2-mercaptopropionic acid

Sigma-Aldrich-SAFC :

2-Mercaptopropionic acid
≥95%, Kosher
Odor: meaty

Treatt :

2-Mercaptopropionic acid

organoleptics :

odor type :

sulfurous

odor strength :

very high

odor description :
at 0.01 % in propylene glycol.

meaty sulfury roasted

substantivity :

400 Hour(s)

properties :

appearence :

colorless to pale yellow clear oily liquid

assay :

96.00 to 100.00 %

Food Chemicals Codex Listed :

specific gravity :

1.19200 to 1.20000 @ 25.00 °C.

pounds per gallon - calc. :

9.919 to 9.985

refractive index :

1.47900 to 1.48400 @ 20.00 °C.

melting point :

10.00 to 14.00 °C. @ 760.00 mm Hg

boiling point :

117.00 °C. @ 16.00 mm Hg

boiling point :

98.00 to 99.00 °C. @ 14.00 mm Hg

vapor density :

3.6 ( Air = 1 )

flash point :

190.00 °F. TCC ( 87.78 °C. )

logP (o/w) :

0.45

safety :

most important hazard(s) :

C - Corrosive.

R 25 - Toxic if swallowed.
R 34 - Causes burns.
S 01/02 - Keep locked up and out of the reach of children.
S 20/21 - When using do not eat, drink or smoke.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.

Oral Toxicity(LD50) :

Not determined

Dermal Toxicity(LD50) :

Not determined

Inhalation Toxicity(LC50) :

Not determined

safety in use :

Maximised Survey-derived Daily Intakes (MSDI-EU) :

2.10 (μg/capita/day)

recommendation for 2-mercaptopropionic acid usage levels up to :

not for fragrance use.

recommendation for 2-mercaptopropionic acid usage levels up to :

50.0000 ppm in the flavor.

safety references :

European Food Safety Athority(efsa) :

Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...

EPI System :

view

Cancer Citations :

Toxicology Citations :

Env. Mutagen Info. Center :

Canada Domestic Sub. List :

Yes

EPA Chem. Sub. Inventory :

Yes

WISER :

UN 2936

WGK Germany :

2-sulfanylpropanoic acid

(EINECS) number :

201-206-5

RTECS :

UF5250000 for 79-42-5

chemidplus :

000079425

EPA/NOAA CAMEO :

hazardous materials

EPA Substance Registry Services :

79-42-5

references :

2-sulfanylpropanoic acid

fl. number :

12.039

jecfa number :

551

NIST Chemistry WebBook :

715735476

pubchem :

203601

Cosmetics :

Cosmetic uses :

antioxidants
depilatories
hair straightening agents
hair waving agents
masking agents
reducing agents

other :

CosIng :

cosmetic data

Household Products :

synonyms :
2-	mercaptopropanoic acid
alpha-	mercaptopropanoic acid
alpha-	mercaptopropionic acid
2-	sulfanylpropanoic acid
2-	thiol propionic acid
	thiolactic acid
2-	thiolactic acid
soluble in :
	acetone
	alcohol
	water
(odor and/or flavor) blends with :
1,2-	butane dithiol
1,3-	butane dithiol
2,3-	butane dithiol
	celery seed oleoresin
	difurfuryl sulfide
2,5-	dihydroxy-1,4-dithiane
2,6-	dimethyl thiophenol
2,5-	dimethyl-3-furan thiol
(Z+E)-2,5-	dimethyl-3-tetrahydrofuran thiol
(Z+E)-2,5-	dimethyl-3-thioacetoxytetrahydrofuran
	ethyl 4-(acetyl thio) butyrate
2-	ethyl benzene thiol
	fish thiol
	furfuryl mercaptan
	hexyl mercaptan
	meaty dithiane
(R,S)-2-	mercapto-3-butanol
	methyl 2-methyl-3-furyl disulfide
4-	methyl 4-mercaptopentan-2-one 1% in pg
12-	methyl tridecanal
2-	methyl-3-furyl tetrasulfide
S-(2-	methyl-3-furyl) ethane thioate
2-	methyl-3-tetrahydrofuran thiol
2-	naphthyl mercaptan
1,9-	nonane dithiol
	nutty thiazole
1,8-	octane dithiol
4-	penten-1-yl acetate
1,3-	propane dithiol
iso	propyl disulfide
iso	propyl mercaptan
	pyrazinyl ethane thiol
	roasted butanol
ortho-	thiocresol
(odor and/or flavor) used in :
	antioxidants
	coffee
	depilatories
	egg
	hair straightening agents
	hair waving agents
	meat
	reducing agents
	savory
	soup
natural occurrence in :
	not found in nature

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