3-Mercaptopropionic Acid

Overview IFRA Request a quote

  • Identifiers

    CAS number
    107-96-0

    Molecular formula
    C3H6O2S

    SMILES
    C(CS)C(=O)O

    Safety labels

    Corrosive
    Corrosive

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

  • Odor profile

    Sulfurous 86.71%
    Meaty 74.68%
    Roasted 56.44%
    Cheesy 54.14%
    Savory 48.56%
    Onion 36.76%
    Cooked 36.61%
    Garlic 33.94%
    Tropical 33.48%
    Alliaceous 33.29%

    Scent© AI

  • Properties

    XLogP3-AA
    0.4

    Molecular weight
    106.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Melting point expt.

    • 16.8 °C

    Boiling point

    • 111 °C AT 15 MM HG
    • 110.00 to 111.00 °C. @ 15.00 mm Hg

    Flash point est.
    100.12 ˚C

    Flash point expt.

    • 93 °C

    Solubility expt.

    • SOL IN WATER, ALCOHOL, BENZENE, & ETHER
    • Soluble
    • Practically insoluble or insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • 3-MERCAPTOPROPIONIC ACID
    • 3-Mercaptopropanoic acid
    • 107-96-0
    • 3-Sulfanylpropanoic acid
    • Mercaptopropionic acid
    • 3-Thiopropionic acid
    • 3-Thiopropanoic acid
    • Propanoic acid, 3-mercapto-
    • beta-Mercaptopropionic acid
    • 2-Mercaptoethanecarboxylic acid
    • beta-Thiopropionic acid
    • 3MPA
    • Hydracrylic acid, 3-thio-
    • Thiohydracrylic acid
    • Propionic acid, 3-mercapto-
    • beta-Mercaptopropanoic acid
    • NSC 437
    • .beta.-Thiopropionic acid
    • Propionic acid, 3-mercpato-
    • 3-Thiolpropanoic acid
    • .beta.-Mercaptopropionic acid
    • 3-thiohydracrylic acid
    • 3 Mercaptopropionic Acid
    • HSDB 5381
    • Mercaptopropionic acid, 3-
    • EINECS 203-537-0
    • B03TJ3QU9M
    • MFCD00004897
    • .beta.-Mercaptopropanoic acid
    • BRN 0773807
    • DTXSID8026775
    • CHEBI:44111
    • AI3-26090
    • DEAMINO CYSTEINE
    • NSC-437
    • betamercaptopropionic acid
    • 3-mercapto-propionic acid
    • CHEMBL358697
    • DTXCID106775
    • FEMA NO. 4587
    • EC 203-537-0
    • 4-03-00-00726 (Beilstein Handbook Reference)
    • 3-MERCAPTOPROPIONIC ACID [HSDB]
    • 3-Mercaptopropionicacid
    • UNII-B03TJ3QU9M
    • 3 Mercaptopropanoic Acid
    • Acid, 3-Mercaptopropanoic
    • Acid, 3-Mercaptopropionic
    • Propionic acid, mercapto-
    • USAF E-5
    • 3mercaptopropionate
    • 3Thiopropanoic acid
    • 3Thiopropionic acid
    • 3mercaptopropanoic acid
    • betaThiopropionic acid.
    • ss--Thiopropionic acid
    • Hydracrylic acid, 3thio
    • betaMercaptopropanoic acid
    • 3-mercapto-propanoic acid
    • Propanoic acid, 3mercapto
    • Propionic acid, 3mercpato
    • ss--Mercaptopropanoic acid
    • ss--Mercaptopropionic acid
    • 3-Sulfanylpropanoic acid #
    • SCHEMBL7289
    • Mercaptoethanecarboxylic acid
    • 3-Mercaptopropanoic acid, 9CI
    • NSC437
    • 3-Mercaptopropionic acid, 98%
    • 3-Mercaptopropionic acid, >=99%
    • BCP16636
    • STR01222
    • Tox21_200194
    • BDBM50121953
    • MERCAPTOPROPIONIC ACID [INCI]
    • STL281859
    • AKOS000121541
    • AC-4722
    • AT21041
    • FM25104
    • SB66313
    • NCGC00248556-01
    • NCGC00257748-01
    • BP-21405
    • CAS-107-96-0
    • M0061
    • NS00009790
    • 3-Mercaptopropionic acid, >=99.0% (HPLC)
    • EN300-19579
    • C22312
    • Q11751618
    • F2191-0215
    • Z104474322
    • 3-Thiopropanoic acid;b-Mercaptopropionic acid;Thiopropionic acid
    • 203-537-0

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 280.69
    methanol 471.33
    isopropanol 192.13
    water 279.96
    ethyl acetate 54.84
    n-propanol 149.21
    acetone 457.04
    n-butanol 105.61
    acetonitrile 72.31
    DMF 873.58
    toluene 5.12
    isobutanol 82.2
    1,4-dioxane 133.03
    methyl acetate 66.13
    THF 249.64
    2-butanone 100.63
    n-pentanol 88.62
    sec-butanol 79.19
    n-hexane 4.43
    ethylene glycol 268.49
    NMP 379.17
    cyclohexane 2.42
    DMSO 739.76
    n-butyl acetate 37.85
    n-octanol 55.98
    chloroform 10.48
    n-propyl acetate 48.16
    acetic acid 429.9
    dichloromethane 15.27
    cyclohexanone 110.13
    propylene glycol 167.41
    isopropyl acetate 44.08
    DMAc 324.07
    2-ethoxyethanol 222.45
    isopentanol 80.54
    n-heptane 4.1
    ethyl formate 81.57
    1,2-dichloroethane 20.85
    n-hexanol 66.6
    2-methoxyethanol 388.36
    isobutyl acetate 28.11
    tetrachloromethane 3.37
    n-pentyl acetate 44.73
    transcutol 466.67
    n-heptanol 45.64
    ethylbenzene 5.3
    MIBK 67.03
    2-propoxyethanol 163.13
    tert-butanol 188.43
    MTBE 41.33
    2-butoxyethanol 111.6
    propionic acid 148.52
    o-xylene 7.98
    formic acid 418.58
    diethyl ether 38.01
    m-xylene 9.91
    p-xylene 8.03
    chlorobenzene 8.1
    dimethyl carbonate 41.34
    n-octane 2.37
    formamide 406.35
    cyclopentanone 191.48
    2-pentanone 109.83
    anisole 28.83
    cyclopentyl methyl ether 59.13
    gamma-butyrolactone 223.56
    1-methoxy-2-propanol 266.64
    pyridine 38.45
    3-pentanone 50.11
    furfural 185.76
    n-dodecane 2.71
    diethylene glycol 219.88
    diisopropyl ether 15.17
    tert-amyl alcohol 89.78
    acetylacetone 165.58
    n-hexadecane 2.84
    acetophenone 45.16
    methyl propionate 61.97
    isopentyl acetate 32.55
    trichloroethylene 29.42
    n-nonanol 48.53
    cyclohexanol 57.93
    benzyl alcohol 44.96
    2-ethylhexanol 30.07
    isooctanol 35.42
    dipropyl ether 28.22
    1,2-dichlorobenzene 10.97
    ethyl lactate 46.83
    propylene carbonate 83.7
    n-methylformamide 324.8
    2-pentanol 65.7
    n-pentane 4.04
    1-propoxy-2-propanol 109.38
    1-methoxy-2-propyl acetate 62.02
    2-(2-methoxypropoxy) propanol 118.36
    mesitylene 10.08
    ε-caprolactone 96.7
    p-cymene 8.1
    epichlorohydrin 118.13
    1,1,1-trichloroethane 10.13
    2-aminoethanol 256.69
    morpholine-4-carbaldehyde 342.89
    sulfolane 284.4
    2,2,4-trimethylpentane 2.34
    2-methyltetrahydrofuran 93.64
    n-hexyl acetate 66.33
    isooctane 3.09
    2-(2-butoxyethoxy)ethanol 184.25
    sec-butyl acetate 25.41
    tert-butyl acetate 58.01
    decalin 2.49
    glycerin 270.37
    diglyme 244.75
    acrylic acid 169.09
    isopropyl myristate 30.28
    n-butyric acid 129.64
    acetyl acetate 43.23
    di(2-ethylhexyl) phthalate 39.43
    ethyl propionate 35.95
    nitromethane 471.41
    1,2-diethoxyethane 75.91
    benzonitrile 29.13
    trioctyl phosphate 32.29
    1-bromopropane 7.97
    gamma-valerolactone 283.27
    n-decanol 37.14
    triethyl phosphate 20.21
    4-methyl-2-pentanol 41.61
    propionitrile 34.68
    vinylene carbonate 70.95
    1,1,2-trichlorotrifluoroethane 124.17
    DMS 45.9
    cumene 7.28
    2-octanol 32.52
    2-hexanone 65.77
    octyl acetate 41.9
    limonene 11.72
    1,2-dimethoxyethane 226.69
    ethyl orthosilicate 18.92
    tributyl phosphate 35.21
    diacetone alcohol 137.19
    N,N-dimethylaniline 31.76
    acrylonitrile 56.12
    aniline 23.35
    1,3-propanediol 248.72
    bromobenzene 4.53
    dibromomethane 9.51
    1,1,2,2-tetrachloroethane 24.33
    2-methyl-cyclohexyl acetate 31.17
    tetrabutyl urea 59.52
    diisobutyl methanol 21.98
    2-phenylethanol 42.42
    styrene 5.77
    dioctyl adipate 51.31
    dimethyl sulfate 90.56
    ethyl butyrate 30.55
    methyl lactate 83.51
    butyl lactate 59.39
    diethyl carbonate 18.46
    propanediol butyl ether 149.67
    triethyl orthoformate 24.96
    p-tert-butyltoluene 8.83
    methyl 4-tert-butylbenzoate 71.92
    morpholine 170.24
    tert-butylamine 71.93
    n-dodecanol 29.11
    dimethoxymethane 232.42
    ethylene carbonate 54.01
    cyrene 114.59
    2-ethoxyethyl acetate 69.02
    2-ethylhexyl acetate 22.31
    1,2,4-trichlorobenzene 14.76
    4-methylpyridine 38.09
    dibutyl ether 33.17
    2,6-dimethyl-4-heptanol 21.98
    DEF 128.45
    dimethyl isosorbide 144.68
    tetrachloroethylene 21.04
    eugenol 87.93
    triacetin 81.16
    span 80 111.7
    1,4-butanediol 129.03
    1,1-dichloroethane 11.31
    2-methyl-1-pentanol 58.18
    methyl formate 236.19
    2-methyl-1-butanol 58.76
    n-decane 3.84
    butyronitrile 40.72
    3,7-dimethyl-1-octanol 44.61
    1-chlorooctane 13.29
    1-chlorotetradecane 7.14
    n-nonane 3.51
    undecane 3.13
    tert-butylcyclohexane 3.18
    cyclooctane 1.51
    cyclopentanol 98.65
    tetrahydropyran 60.06
    tert-amyl methyl ether 30.77
    2,5,8-trioxanonane 205.61
    1-hexene 11.51
    2-isopropoxyethanol 127.9
    2,2,2-trifluoroethanol 169.06
    methyl butyrate 55.84

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction