Dipropyl disulfide

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  • Identifiers

    CAS number
    629-19-6

    Molecular formula
    C6H14S2

    SMILES
    CCCSSCCC

    Retention indicies (RI)

    • Carbowax: 1358.0

  • Odor profile

    Sulfurous 86.63%
    Onion 81.18%
    Alliaceous 80.64%
    Green 77.77%
    Garlic 76.09%
    Vegetable 68.57%
    Savory 57.93%
    Cooked 48.78%
    Meaty 47.45%
    Cabbage 40.43%

    Scent© AI

  • Properties

    XLogP3-AA
    2.7

    Molecular weight
    150.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Melting point expt.

    • -85.6 °C

    Boiling point

    • 193.00 to 195.00 °C. @ 760.00 mm Hg

    Flash point est.
    70.18 ˚C

  • Synonyms

    • Dipropyl disulfide
    • Propyl disulfide
    • 629-19-6
    • Disulfide, dipropyl
    • 1-(Propyldisulfanyl)propane
    • n-Propyl disulfide
    • Di-n-propyl disulfide
    • 4,5-DITHIAOCTANE
    • Dipropyl disulphide
    • Propyldithiopropane
    • 1,1'-dithiodipropane
    • 1,2-dipropyldisulfane
    • FEMA No. 3228
    • NSC 75122
    • MFCD00009378
    • DTXSID2022096
    • I7K169J70F
    • NSC-75122
    • propyldisulfide
    • EINECS 211-079-8
    • UNII-I7K169J70F
    • AI3-37201
    • n-propyldisulfide
    • n-Propyl-disulfide
    • 1-propyldisulfanyl-propane
    • Dipropyl disulfide, 98%
    • 1,1'-disulfanediyldipropane
    • SCHEMBL113363
    • DTXCID302096
    • PROPYL DISULFIDE [FHFI]
    • (n-C3H7S)2
    • CHEBI:45758
    • FEMA 3228
    • Propyl disulfide, >=97%, FG
    • NSC75122
    • Tox21_301499
    • NSC797350
    • FEMA NO. 4577, DIPROPYL-
    • AKOS015897437
    • HY-W196803
    • NSC-797350
    • NCGC00255274-01
    • AS-56755
    • CAS-629-19-6
    • DB-054332
    • CS-0259501
    • D0932
    • NS00021270
    • C08373
    • E79213
    • EN300-7352631
    • A834090
    • Q1227317
    • InChI=1/C6H14S2/c1-3-5-7-8-6-4-2/h3-6H2,1-2H

  • Applications

    Propyl disulfide (CAS 629-19-6) is a naturally occurring organosulfur compound found in onions, garlic and other Allium species, widely used in the flavour industry because its pungent profile recreates onion-garlic notes in sauces, soups, fast foods and enhances taste in snacks and processed meats; furthermore, due to its antibacterial, antioxidant and insect-repellent properties, it serves as a natural preservative, an active ingredient in biopesticides, an odour-control additive in livestock management, a precursor for sulfur-based pharmaceuticals and a warning odorant for gas-leak detection, while also being studied as a bioactive molecule capable of lowering blood lipids, protecting the liver and modulating glucose levels, opening promising avenues for next-generation nutraceuticals and cosmeceuticals.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 610.12
    methanol 375.52
    isopropanol 669.94
    water 0.06
    ethyl acetate 2052.72
    n-propanol 718.33
    acetone 3129.56
    n-butanol 863.83
    acetonitrile 1242.51
    DMF 2757.16
    toluene 2538.21
    isobutanol 671.02
    1,4-dioxane 3730.17
    methyl acetate 1599.47
    THF 7155.47
    2-butanone 2366.46
    n-pentanol 506.64
    sec-butanol 743.71
    n-hexane 860.98
    ethylene glycol 79.57
    NMP 3789.29
    cyclohexane 3279.88
    DMSO 2978.82
    n-butyl acetate 3165.01
    n-octanol 639.98
    chloroform 5491.42
    n-propyl acetate 1267.99
    acetic acid 745.47
    dichloromethane 4463.49
    cyclohexanone 6655.1
    propylene glycol 172.31
    isopropyl acetate 1402.06
    DMAc 1801.32
    2-ethoxyethanol 561.3
    isopentanol 778.42
    n-heptane 1795.51
    ethyl formate 1056.16
    1,2-dichloroethane 3174.12
    n-hexanol 1124.71
    2-methoxyethanol 1037.0
    isobutyl acetate 854.79
    tetrachloromethane 1612.36
    n-pentyl acetate 1488.72
    transcutol 2092.44
    n-heptanol 523.76
    ethylbenzene 902.03
    MIBK 1339.39
    2-propoxyethanol 1269.45
    tert-butanol 1085.81
    MTBE 1662.6
    2-butoxyethanol 688.46
    propionic acid 778.47
    o-xylene 1289.12
    formic acid 77.19
    diethyl ether 2152.88
    m-xylene 1362.18
    p-xylene 1208.4
    chlorobenzene 2705.29
    dimethyl carbonate 600.41
    n-octane 486.58
    formamide 176.37
    cyclopentanone 6580.26
    2-pentanone 2432.53
    anisole 1255.46
    cyclopentyl methyl ether 4013.25
    gamma-butyrolactone 4618.78
    1-methoxy-2-propanol 927.08
    pyridine 3983.59
    3-pentanone 2061.9
    furfural 3347.9
    n-dodecane 231.2
    diethylene glycol 527.76
    diisopropyl ether 924.53
    tert-amyl alcohol 908.75
    acetylacetone 2319.87
    n-hexadecane 284.43
    acetophenone 1241.72
    methyl propionate 1429.88
    isopentyl acetate 2247.18
    trichloroethylene 5307.25
    n-nonanol 568.58
    cyclohexanol 1988.97
    benzyl alcohol 711.85
    2-ethylhexanol 1108.5
    isooctanol 456.27
    dipropyl ether 2861.13
    1,2-dichlorobenzene 2250.1
    ethyl lactate 393.12
    propylene carbonate 2417.69
    n-methylformamide 800.98
    2-pentanol 750.36
    n-pentane 772.08
    1-propoxy-2-propanol 1445.1
    1-methoxy-2-propyl acetate 1746.76
    2-(2-methoxypropoxy) propanol 640.99
    mesitylene 1022.44
    ε-caprolactone 3833.39
    p-cymene 984.8
    epichlorohydrin 3759.2
    1,1,1-trichloroethane 4290.1
    2-aminoethanol 190.99
    morpholine-4-carbaldehyde 2845.37
    sulfolane 5382.89
    2,2,4-trimethylpentane 283.93
    2-methyltetrahydrofuran 5095.89
    n-hexyl acetate 1702.52
    isooctane 271.46
    2-(2-butoxyethoxy)ethanol 900.1
    sec-butyl acetate 915.09
    tert-butyl acetate 1633.97
    decalin 701.07
    glycerin 216.25
    diglyme 2122.28
    acrylic acid 630.94
    isopropyl myristate 750.7
    n-butyric acid 1513.83
    acetyl acetate 1238.66
    di(2-ethylhexyl) phthalate 494.74
    ethyl propionate 1128.06
    nitromethane 1632.0
    1,2-diethoxyethane 2025.82
    benzonitrile 1842.4
    trioctyl phosphate 415.08
    1-bromopropane 2709.9
    gamma-valerolactone 5258.32
    n-decanol 422.58
    triethyl phosphate 760.13
    4-methyl-2-pentanol 426.8
    propionitrile 1407.42
    vinylene carbonate 2032.99
    1,1,2-trichlorotrifluoroethane 1795.56
    DMS 997.46
    cumene 529.65
    2-octanol 486.47
    2-hexanone 1435.26
    octyl acetate 833.78
    limonene 2088.72
    1,2-dimethoxyethane 2008.36
    ethyl orthosilicate 774.82
    tributyl phosphate 588.22
    diacetone alcohol 1140.97
    N,N-dimethylaniline 842.02
    acrylonitrile 1435.47
    aniline 1492.36
    1,3-propanediol 397.59
    bromobenzene 3539.92
    dibromomethane 3785.35
    1,1,2,2-tetrachloroethane 4750.06
    2-methyl-cyclohexyl acetate 1384.63
    tetrabutyl urea 876.44
    diisobutyl methanol 879.21
    2-phenylethanol 926.75
    styrene 1305.86
    dioctyl adipate 932.54
    dimethyl sulfate 974.3
    ethyl butyrate 2138.27
    methyl lactate 469.39
    butyl lactate 809.27
    diethyl carbonate 1137.61
    propanediol butyl ether 561.18
    triethyl orthoformate 1439.8
    p-tert-butyltoluene 984.14
    methyl 4-tert-butylbenzoate 942.11
    morpholine 3670.99
    tert-butylamine 878.88
    n-dodecanol 355.03
    dimethoxymethane 1573.93
    ethylene carbonate 1957.05
    cyrene 750.65
    2-ethoxyethyl acetate 1298.91
    2-ethylhexyl acetate 2052.86
    1,2,4-trichlorobenzene 2296.57
    4-methylpyridine 3759.2
    dibutyl ether 2016.94
    2,6-dimethyl-4-heptanol 879.21
    DEF 2328.51
    dimethyl isosorbide 1775.5
    tetrachloroethylene 2895.77
    eugenol 706.9
    triacetin 1139.97
    span 80 863.55
    1,4-butanediol 160.25
    1,1-dichloroethane 3321.42
    2-methyl-1-pentanol 477.68
    methyl formate 778.95
    2-methyl-1-butanol 709.34
    n-decane 457.7
    butyronitrile 1761.28
    3,7-dimethyl-1-octanol 752.86
    1-chlorooctane 1038.26
    1-chlorotetradecane 426.9
    n-nonane 546.8
    undecane 303.41
    tert-butylcyclohexane 513.0
    cyclooctane 1175.94
    cyclopentanol 1934.12
    tetrahydropyran 5940.58
    tert-amyl methyl ether 1343.32
    2,5,8-trioxanonane 1265.56
    1-hexene 1378.61
    2-isopropoxyethanol 466.85
    2,2,2-trifluoroethanol 253.84
    methyl butyrate 1670.44

    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

Botanical

Name CAS Botanical Proportion
Nigella sativa seed Nigella sativa L., fam. Ranunculaceae 0.01%
Onion 8002-72-0 Allium cepa L., fam. Liliaceae 26.0%
Onion (shallot) 8002-72-0 Allium cepa L., Aggregatum g., fam. Liliaceae 9.05%
Apple flower Malus arnoldiana (Rehd) Sarg. var. Redgold, fam. Rosaceae 0.01%
Onion, welsh 8002-72-0 Allium fistulosum L. var. Maichuon, fam. Liliaceae 4.28%
Scallion Allium fistulosum L. var. Caespitosum, fam. Liliaceae 9.79%
Scallion (Cuba) Allium fistulosum L., fam. Liliaceae 30.6%
Asafoetida (Pakistan) 2 9000-04-8 Ferula assafoetida L., fam. Apiaceae (Umbelliferae) 0.11%
Asafoetida (Iran) 1 9000-04-8 Ferula assafoetida L., fam. Apiaceae (Umbelliferae) 0.01%
Asafoetida headspace 9000-04-8 Ferula assafoetida L., fam. Apiaceae (Umbelliferae) 0.23%