1-Nonanethiol

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  • Identifiers

    CAS number
    1455-21-6

    Molecular formula
    C9H20S

    SMILES
    CCCCCCCCCS

    Safety labels

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 1323.0

  • Odor profile

    Sulfurous 88.31%
    Meaty 80.62%
    Fatty 73.39%
    Roasted 60.3%
    Savory 59.92%
    Vegetable 56.92%
    Onion 44.27%
    Alliaceous 43.19%
    Burnt 40.92%
    Garlic 38.16%

    Scent© AI

  • Properties

    XLogP3-AA
    5.2

    Molecular weight
    160.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Melting point expt.

    • -20 °C

    Boiling point

    • 220 °C

    Flash point est.
    77.22 ˚C

    Flash point expt.

    • 78 °C
    • 78 °C c.c.

    Solubility expt.

    • Insoluble (NIOSH, 2024)
    • Solubility in water: very poor
    • Insoluble

  • Synonyms

    • 1-NONANETHIOL
    • 1455-21-6
    • Nonyl mercaptan
    • nonane-1-thiol
    • n-Nonyl mercaptan
    • Nonylthiol
    • nonanethiol
    • n-Nonylmercaptan
    • 1-Nonylthiol
    • UNII-39LG2ETV2J
    • NSC-5563
    • EINECS 215-936-7
    • 39LG2ETV2J
    • DTXSID9061704
    • n-nonanethiol
    • n-Nonylthiol
    • 1-Mercaptononane
    • non-thiol
    • 1Nonanethiol
    • nNonyl mercaptan
    • NSC 5563
    • 1-Nonanethiol, 95%
    • 1-Nonanethiol, 99%
    • SCHEMBL129167
    • DTXCID9034733
    • NSC5563
    • MFCD00004913
    • AKOS015897643
    • AS-56468
    • DB-021362
    • NS00024744
    • E76522
    • Q20966422
    • 215-936-7

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1587.62
    methanol 808.4
    isopropanol 1936.08
    water 0.01
    ethyl acetate 2413.05
    n-propanol 1747.07
    acetone 3587.9
    n-butanol 2391.89
    acetonitrile 998.14
    DMF 1323.43
    toluene 1596.05
    isobutanol 1511.46
    1,4-dioxane 4366.63
    methyl acetate 1395.05
    THF 9052.65
    2-butanone 2970.98
    n-pentanol 1612.09
    sec-butanol 2034.55
    n-hexane 2989.47
    ethylene glycol 81.25
    NMP 1152.94
    cyclohexane 4953.93
    DMSO 2546.73
    n-butyl acetate 5334.87
    n-octanol 916.95
    chloroform 3933.05
    n-propyl acetate 2175.36
    acetic acid 674.5
    dichloromethane 3537.48
    cyclohexanone 4602.03
    propylene glycol 203.07
    isopropyl acetate 1839.93
    DMAc 886.59
    2-ethoxyethanol 1149.86
    isopentanol 2118.38
    n-heptane 3954.97
    ethyl formate 775.72
    1,2-dichloroethane 3094.55
    n-hexanol 3142.13
    2-methoxyethanol 1583.78
    isobutyl acetate 1404.82
    tetrachloromethane 1104.93
    n-pentyl acetate 1676.75
    transcutol 4228.91
    n-heptanol 1063.28
    ethylbenzene 809.93
    MIBK 1891.23
    2-propoxyethanol 2392.71
    tert-butanol 2940.76
    MTBE 4104.58
    2-butoxyethanol 1178.63
    propionic acid 674.53
    o-xylene 740.94
    formic acid 49.79
    diethyl ether 6061.8
    m-xylene 854.8
    p-xylene 995.62
    chlorobenzene 1345.23
    dimethyl carbonate 238.96
    n-octane 716.68
    formamide 92.37
    cyclopentanone 3748.54
    2-pentanone 3419.85
    anisole 1003.14
    cyclopentyl methyl ether 4323.31
    gamma-butyrolactone 2179.26
    1-methoxy-2-propanol 1515.26
    pyridine 2998.79
    3-pentanone 2040.72
    furfural 1320.1
    n-dodecane 238.29
    diethylene glycol 718.8
    diisopropyl ether 1933.21
    tert-amyl alcohol 2122.02
    acetylacetone 1882.2
    n-hexadecane 291.13
    acetophenone 773.7
    methyl propionate 1130.63
    isopentyl acetate 3360.66
    trichloroethylene 3472.97
    n-nonanol 828.15
    cyclohexanol 2514.89
    benzyl alcohol 613.63
    2-ethylhexanol 2505.27
    isooctanol 921.82
    dipropyl ether 7378.35
    1,2-dichlorobenzene 946.84
    ethyl lactate 350.02
    propylene carbonate 1161.95
    n-methylformamide 396.48
    2-pentanol 2087.26
    n-pentane 2181.48
    1-propoxy-2-propanol 2775.62
    1-methoxy-2-propyl acetate 1807.07
    2-(2-methoxypropoxy) propanol 689.7
    mesitylene 622.76
    ε-caprolactone 2637.57
    p-cymene 838.27
    epichlorohydrin 2862.62
    1,1,1-trichloroethane 3191.64
    2-aminoethanol 263.45
    morpholine-4-carbaldehyde 1330.82
    sulfolane 2261.01
    2,2,4-trimethylpentane 488.27
    2-methyltetrahydrofuran 6754.89
    n-hexyl acetate 1703.65
    isooctane 466.88
    2-(2-butoxyethoxy)ethanol 1180.91
    sec-butyl acetate 1414.59
    tert-butyl acetate 1964.42
    decalin 796.76
    glycerin 229.5
    diglyme 2598.95
    acrylic acid 361.16
    isopropyl myristate 687.09
    n-butyric acid 1867.55
    acetyl acetate 986.19
    di(2-ethylhexyl) phthalate 336.86
    ethyl propionate 1356.66
    nitromethane 882.65
    1,2-diethoxyethane 4223.4
    benzonitrile 977.66
    trioctyl phosphate 349.34
    1-bromopropane 4560.15
    gamma-valerolactone 2808.48
    n-decanol 568.68
    triethyl phosphate 629.29
    4-methyl-2-pentanol 1071.46
    propionitrile 1389.62
    vinylene carbonate 744.62
    1,1,2-trichlorotrifluoroethane 1247.82
    DMS 583.19
    cumene 492.3
    2-octanol 771.31
    2-hexanone 3005.98
    octyl acetate 715.1
    limonene 2018.52
    1,2-dimethoxyethane 3379.55
    ethyl orthosilicate 744.17
    tributyl phosphate 460.47
    diacetone alcohol 1348.37
    N,N-dimethylaniline 605.45
    acrylonitrile 954.23
    aniline 1072.49
    1,3-propanediol 630.97
    bromobenzene 1661.24
    dibromomethane 3608.29
    1,1,2,2-tetrachloroethane 3222.57
    2-methyl-cyclohexyl acetate 1323.4
    tetrabutyl urea 607.21
    diisobutyl methanol 1455.26
    2-phenylethanol 963.45
    styrene 1093.78
    dioctyl adipate 743.06
    dimethyl sulfate 349.56
    ethyl butyrate 3055.97
    methyl lactate 265.35
    butyl lactate 729.62
    diethyl carbonate 1146.29
    propanediol butyl ether 678.24
    triethyl orthoformate 1779.22
    p-tert-butyltoluene 794.26
    methyl 4-tert-butylbenzoate 577.64
    morpholine 4922.57
    tert-butylamine 2596.13
    n-dodecanol 435.01
    dimethoxymethane 1529.66
    ethylene carbonate 871.97
    cyrene 481.31
    2-ethoxyethyl acetate 1345.03
    2-ethylhexyl acetate 2926.58
    1,2,4-trichlorobenzene 997.72
    4-methylpyridine 2505.34
    dibutyl ether 3507.57
    2,6-dimethyl-4-heptanol 1455.26
    DEF 1998.11
    dimethyl isosorbide 1247.54
    tetrachloroethylene 2132.11
    eugenol 482.53
    triacetin 810.78
    span 80 857.16
    1,4-butanediol 228.1
    1,1-dichloroethane 3495.84
    2-methyl-1-pentanol 1362.16
    methyl formate 293.3
    2-methyl-1-butanol 1675.26
    n-decane 574.61
    butyronitrile 2416.73
    3,7-dimethyl-1-octanol 1094.59
    1-chlorooctane 1219.88
    1-chlorotetradecane 377.68
    n-nonane 724.57
    undecane 344.96
    tert-butylcyclohexane 651.85
    cyclooctane 1366.62
    cyclopentanol 2075.87
    tetrahydropyran 9922.19
    tert-amyl methyl ether 2388.57
    2,5,8-trioxanonane 1314.53
    1-hexene 4996.88
    2-isopropoxyethanol 1016.08
    2,2,2-trifluoroethanol 118.55
    methyl butyrate 1940.15

    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
Adenocalymma alliaceum (Brazil) 1b flower Adenocalymma alliaceum Miers, fam. Bignoniaceae 0.1%