• Identifiers

    CAS number
    72445-42-2

    Molecular formula
    C15H24S

    SMILES
    CC(C)[C@@H]1CC[C@@]2([C@H]1[C@@H]3C(=C)CC[C@H]2S3)C

  • Odor profile

    Woody 69.22%
    Earthy 43.94%
    Green 43.71%
    Spicy 40.49%
    Herbal 38.28%
    Fruity 32.86%
    Fresh 32.0%
    Nutty 27.5%
    Musty 27.19%
    Tropical 26.71%

    Scent© AI

  • Properties

    XLogP3-AA
    4.6

    Molecular weight
    236.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    323°C

    Flash point est.
    140.57 ˚C

  • Synonyms

    • (-)-Mintsulfide
    • 72445-42-2
    • HVLGGQYBXOJMLO-QRTUWBSPSA-N
    • DTXSID101316875
  • Applications

    (-)-Mintsulfide (CAS 72445-42-2) is a chiral sulfur-containing organic compound of the (-) configuration with applications primarily in flavor–fragrance and asymmetric synthesis R&D; at research scale it can be used as a trace odorant/modifier to probe how sulfur modulates minty, green, and sulfurous notes, as a reference standard for GC–MS/GC–O and enantioselective chromatography to assess enantiomeric purity, and as an intermediate that can be selectively oxidized to the corresponding sulfoxide or sulfone as building blocks for sulfur-containing odorants or bioactive targets; it is also valuable as a model for teaching and studying configuration–odor relationships, for validating QC methods (NMR, MS, optical rotation, CD), for optimizing formulation stability and mapping oxidative degradation, with use subject to applicable safety and regulatory requirements and storage recommended in airtight, dry containers protected from light and oxygen to minimize formation of oxidized byproducts.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 229.01
    methanol 138.33
    isopropanol 408.55
    water 0.48
    ethyl acetate 664.47
    n-propanol 312.3
    acetone 944.08
    n-butanol 359.32
    acetonitrile 346.83
    DMF 1024.42
    toluene 840.02
    isobutanol 296.17
    1,4-dioxane 1531.98
    methyl acetate 603.76
    THF 2925.84
    2-butanone 825.41
    n-pentanol 177.61
    sec-butanol 275.81
    n-hexane 20.17
    ethylene glycol 49.97
    NMP 723.05
    cyclohexane 124.1
    DMSO 494.28
    n-butyl acetate 805.87
    n-octanol 215.03
    chloroform 1472.64
    n-propyl acetate 412.51
    acetic acid 185.53
    dichloromethane 1138.29
    cyclohexanone 1547.8
    propylene glycol 99.94
    isopropyl acetate 598.09
    DMAc 647.44
    2-ethoxyethanol 283.17
    isopentanol 331.19
    n-heptane 56.66
    ethyl formate 445.32
    1,2-dichloroethane 723.92
    n-hexanol 385.13
    2-methoxyethanol 528.57
    isobutyl acetate 378.47
    tetrachloromethane 287.3
    n-pentyl acetate 527.16
    transcutol 926.3
    n-heptanol 207.26
    ethylbenzene 284.97
    MIBK 544.74
    2-propoxyethanol 645.28
    tert-butanol 428.36
    MTBE 491.53
    2-butoxyethanol 375.85
    propionic acid 239.39
    o-xylene 387.47
    formic acid 36.69
    diethyl ether 454.61
    m-xylene 497.92
    p-xylene 386.5
    chlorobenzene 798.75
    dimethyl carbonate 326.34
    n-octane 29.17
    formamide 88.87
    cyclopentanone 2030.52
    2-pentanone 781.31
    anisole 539.2
    cyclopentyl methyl ether 907.6
    gamma-butyrolactone 1607.7
    1-methoxy-2-propanol 530.3
    pyridine 1272.22
    3-pentanone 513.42
    furfural 1146.54
    n-dodecane 26.58
    diethylene glycol 367.09
    diisopropyl ether 201.04
    tert-amyl alcohol 261.35
    acetylacetone 990.9
    n-hexadecane 32.82
    acetophenone 516.1
    methyl propionate 510.18
    isopentyl acetate 782.06
    trichloroethylene 1393.26
    n-nonanol 201.19
    cyclohexanol 486.12
    benzyl alcohol 393.1
    2-ethylhexanol 266.41
    isooctanol 191.86
    dipropyl ether 383.5
    1,2-dichlorobenzene 647.71
    ethyl lactate 202.83
    propylene carbonate 877.68
    n-methylformamide 356.07
    2-pentanol 267.12
    n-pentane 39.06
    1-propoxy-2-propanol 584.4
    1-methoxy-2-propyl acetate 786.0
    2-(2-methoxypropoxy) propanol 341.46
    mesitylene 314.32
    ε-caprolactone 1071.89
    p-cymene 265.25
    epichlorohydrin 1385.59
    1,1,1-trichloroethane 814.59
    2-aminoethanol 111.68
    morpholine-4-carbaldehyde 1037.26
    sulfolane 1159.03
    2,2,4-trimethylpentane 28.25
    2-methyltetrahydrofuran 1276.83
    n-hexyl acetate 602.49
    isooctane 34.07
    2-(2-butoxyethoxy)ethanol 452.89
    sec-butyl acetate 340.3
    tert-butyl acetate 613.71
    decalin 53.06
    glycerin 139.19
    diglyme 927.49
    acrylic acid 202.13
    isopropyl myristate 247.18
    n-butyric acid 476.29
    acetyl acetate 510.55
    di(2-ethylhexyl) phthalate 231.0
    ethyl propionate 353.75
    nitromethane 519.65
    1,2-diethoxyethane 576.32
    benzonitrile 696.9
    trioctyl phosphate 186.83
    1-bromopropane 435.61
    gamma-valerolactone 1962.51
    n-decanol 152.86
    triethyl phosphate 215.16
    4-methyl-2-pentanol 211.25
    propionitrile 426.18
    vinylene carbonate 849.62
    1,1,2-trichlorotrifluoroethane 581.15
    DMS 460.83
    cumene 190.13
    2-octanol 168.72
    2-hexanone 435.31
    octyl acetate 286.34
    limonene 311.41
    1,2-dimethoxyethane 707.05
    ethyl orthosilicate 211.52
    tributyl phosphate 212.79
    diacetone alcohol 493.71
    N,N-dimethylaniline 308.87
    acrylonitrile 479.38
    aniline 585.11
    1,3-propanediol 265.46
    bromobenzene 933.22
    dibromomethane 705.68
    1,1,2,2-tetrachloroethane 1007.79
    2-methyl-cyclohexyl acetate 412.57
    tetrabutyl urea 256.67
    diisobutyl methanol 215.72
    2-phenylethanol 543.45
    styrene 349.75
    dioctyl adipate 321.71
    dimethyl sulfate 370.39
    ethyl butyrate 491.1
    methyl lactate 240.64
    butyl lactate 369.04
    diethyl carbonate 317.95
    propanediol butyl ether 343.56
    triethyl orthoformate 380.93
    p-tert-butyltoluene 270.24
    methyl 4-tert-butylbenzoate 427.64
    morpholine 1262.23
    tert-butylamine 246.89
    n-dodecanol 118.7
    dimethoxymethane 839.55
    ethylene carbonate 774.58
    cyrene 378.15
    2-ethoxyethyl acetate 679.94
    2-ethylhexyl acetate 603.22
    1,2,4-trichlorobenzene 752.58
    4-methylpyridine 1230.41
    dibutyl ether 305.27
    2,6-dimethyl-4-heptanol 215.72
    DEF 558.02
    dimethyl isosorbide 751.76
    tetrachloroethylene 601.36
    eugenol 380.8
    triacetin 489.26
    span 80 362.19
    1,4-butanediol 107.82
    1,1-dichloroethane 788.74
    2-methyl-1-pentanol 176.53
    methyl formate 359.75
    2-methyl-1-butanol 252.1
    n-decane 46.42
    butyronitrile 504.78
    3,7-dimethyl-1-octanol 237.22
    1-chlorooctane 185.91
    1-chlorotetradecane 77.33
    n-nonane 41.2
    undecane 34.28
    tert-butylcyclohexane 44.75
    cyclooctane 49.99
    cyclopentanol 577.19
    tetrahydropyran 1438.6
    tert-amyl methyl ether 297.61
    2,5,8-trioxanonane 567.57
    1-hexene 101.36
    2-isopropoxyethanol 255.14
    2,2,2-trifluoroethanol 116.56
    methyl butyrate 464.58

    Scent© AI

1 of 4
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
Name CAS Botanical Proportion
Narcissus poeticus absolute 8023-75-4 Narcissus poeticus L., fam. Amaryllidaceae 0.1%
Clary sage (U.S.A.) 8016-63-5 Salvia sclarea L., fam. Lamiaceae (Labiatae) 0.03%
Clary sage (France) 2 8016-63-5 Salvia sclarea L., fam. Lamiaceae (Labiatae) 0.01%
Clary sage (Russia) 1 8016-63-5 Salvia sclarea L., fam. Lamiaceae (Labiatae) 0.01%
Solidago gigantea Solidago gigantea Ait., fam. Asteraceae (Compositae) 0.15%
Tanacetum balsamita Tanacetum balsamita L., fam. Asteraceae (Compositae) 0.1%
Croton jimenezii (Costa Rica) Croton jimenezii Standl. et Valerio, fam. Euphorbiaceae 0.15%