Nonanoic Acid

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  • Identifiers

    CAS number
    112-05-0

    Molecular formula
    C9H18O2

    SMILES
    CCCCCCCCC(=O)O

    Safety labels

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 1276.75
    • Carbowax: 2157.86

  • Odor profile

    Fatty 90.07%
    Waxy 77.42%
    Cheesy 74.92%
    Dairy 65.45%
    Sour 54.02%
    Creamy 50.73%
    Oily 50.73%
    Milky 49.88%
    Sweaty 46.67%
    Coconut 39.8%

    Scent© AI

    Odor threshold

    • Odor threshold = 3-9 ppm (detection). [HSDB] Odor threshold = "3.1 ppb (0.02 mg/m3) (detection)
    • Aroma threshold values: Detection: 3 to 9 ppm.

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    8.01 (weak base)

    Molecular weight
    158.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 12.4 °C
    • 12.3 °C

    Boiling point

    • 254.5 °C
    • Boiling point = 255.6 °C

    Flash point est.
    119.52 ˚C

    Flash point expt.

    • 133 °C (open cup)

    Solubility expt.

    • Soluble in ethanol, chloroform, ether
    • 1:8 IN 50% ALCOHOL; 1:3 IN 60% ALCOHOL; INSOL IN WATER; SOL IN MOST ORG SOLVENTS
    • In water, 284 mg/L at 30 °C
    • 0.284 mg/mL
    • soluble inmost organic solvents; Insoluble in water

  • Synonyms

    • NONANOIC ACID
    • Pelargonic acid
    • 112-05-0
    • n-Nonanoic acid
    • Nonoic acid
    • Nonylic acid
    • Pelargic acid
    • 1-Octanecarboxylic acid
    • n-Nonylic acid
    • n-Nonoic acid
    • Pelargon
    • Nonanoate
    • Cirrasol 185A
    • Hexacid C-9
    • Emfac 1202
    • 1-Octanecarboxyic acid
    • 1-nonanoic acid
    • MFCD00004433
    • NSC 62787
    • FEMA No. 2784
    • Nonansaeure
    • Pelargonsaeure
    • pergonic acid
    • n-Pelargonate
    • CHEBI:29019
    • HSDB 5554
    • n-Nonylate
    • n-Nonoate
    • EINECS 203-931-2
    • nonoate
    • EPA Pesticide Chemical Code 217500
    • Nonanoic Acid Anion
    • UNII-97SEH7577T
    • BRN 1752351
    • GRANTRICO
    • THINEX
    • DTXSID3021641
    • AI3-04164
    • Emery's L-114
    • Emery 1202
    • Emery 1203
    • octane-1-carboxylic acid
    • NSC-62787
    • NONANOIC ACID [FCC]
    • Emery 1202 (Salt/Mix)
    • NONANOIC ACID [FHFI]
    • NONANOIC ACID [HSDB]
    • PELARGONIC ACID [MI]
    • CH3-[CH2]7-COOH
    • DTXCID901641
    • EC 203-931-2
    • 97SEH7577T
    • pergonate
    • 4-02-00-01018 (Beilstein Handbook Reference)
    • NSC62787
    • n-nonanoate
    • FA 9:0
    • NSC-65450
    • NSC-65455
    • 1-nonanoate
    • C9:0
    • 1-octanecarboxylate
    • Pelargon [Russian]
    • CAS-112-05-0
    • nNonanoic acid
    • nNonylic acid
    • nNonoic acid
    • n-pelargonic acid
    • Hexacid C9
    • KNA
    • EINECS 273-086-2
    • Acid C9
    • PELARGONICACID
    • 1Octanecarboxylic acid
    • Nonanoic acid, 96%
    • 3sz1
    • 1-Octane carboxlic acid
    • Nonanoic acid, ?99%
    • Nonanoic acid (Standard)
    • Nonanoic acid, >=97%
    • bmse000499
    • EC 273-086-2
    • WLN: QV8
    • NCIOpen2_000142
    • NCIOpen2_000179
    • NCIOpen2_001763
    • NCIOpen2_002882
    • NCIOpen2_003483
    • SCHEMBL21966
    • MLS001066339
    • PELARGONIC ACID [INCI]
    • CHEMBL108436
    • Nonanoic acid, >=96%, FG
    • QSPL 030
    • HY-N7057R
    • DTXCID20127107
    • HMS2269L08
    • Nonanoic acid, analytical standard
    • HY-N7057
    • Nonanoic acid, natural, 98%, FG
    • NONANOIC ACID MFC9 H18 O2
    • Tox21_202426
    • Tox21_300022
    • BBL027459
    • BDBM50556776
    • LMFA01010009
    • s4949
    • STL372710
    • AKOS000118981
    • NONANOIC ACID MFC9 H18 O2
    • CCG-231471
    • FA(9:0)
    • FN34493
    • USEPA/OPP Pesticide Code: 217500
    • NCGC00164328-01
    • NCGC00164328-02
    • NCGC00164328-03
    • NCGC00253958-01
    • NCGC00259975-01
    • Pelargonic acid; 1-Octanecarboxylic acid
    • BP-27910
    • DA-76248
    • SMR000112203
    • VS-08541
    • CS-0076036
    • N0288
    • NS00009752
    • P0952

  • Applications

    Nonanoic acid (also known as pelargonic acid, CAS 112-05-0) is a straight-chain C9 fatty acid valued across agriculture, industry and perfumery: in crop protection it is applied directly as a contact herbicide and as a precursor of nonanoate esters for eco-friendly bioherbicides; in lubricant technology its esters with polyols or long-chain alcohols impart low viscosity, excellent low-temperature fluidity and high oxidative stability to turbine, aviation, compressor and gear oils; in plastics processing, nonanoate salts act as stabilisers and plasticisers for PVC and as antistatic agents for conductive polymers; in coatings and printing inks the acid serves as a flow modifier, dispersant and viscosity regulator; in flavour and fragrance creation it provides a fatty, waxy, green-apple nuance and is esterified to compounds such as nonyl acetate and ethyl nonanoate used in fruit, wine, dairy flavours, perfumes and skin-care products; further applications include synthesis of pharmaceuticals, corrosion inhibitors, organic intermediates and concrete curing agents.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3854.98
    methanol 4413.27
    isopropanol 3368.15
    water 0.24
    ethyl acetate 1188.92
    n-propanol 2545.13
    acetone 3583.48
    n-butanol 2209.23
    acetonitrile 693.94
    DMF 2756.69
    toluene 235.26
    isobutanol 1827.69
    1,4-dioxane 1465.07
    methyl acetate 694.57
    THF 3772.21
    2-butanone 1516.59
    n-pentanol 1586.12
    sec-butanol 1865.75
    n-hexane 667.82
    ethylene glycol 444.5
    NMP 1614.11
    cyclohexane 220.08
    DMSO 4337.7
    n-butyl acetate 1271.63
    n-octanol 502.43
    chloroform 876.15
    n-propyl acetate 1034.31
    acetic acid 1280.86
    dichloromethane 761.58
    cyclohexanone 1980.69
    propylene glycol 884.39
    isopropyl acetate 948.25
    DMAc 1110.67
    2-ethoxyethanol 1418.3
    isopentanol 1806.7
    n-heptane 141.71
    ethyl formate 573.26
    1,2-dichloroethane 854.36
    n-hexanol 1570.1
    2-methoxyethanol 2480.32
    isobutyl acetate 646.65
    tetrachloromethane 177.81
    n-pentyl acetate 634.22
    transcutol 3594.57
    n-heptanol 564.78
    ethylbenzene 192.19
    MIBK 1018.72
    2-propoxyethanol 1853.21
    tert-butanol 3427.87
    MTBE 1706.69
    2-butoxyethanol 926.96
    propionic acid 1063.01
    o-xylene 184.65
    formic acid 352.83
    diethyl ether 1457.09
    m-xylene 256.43
    p-xylene 249.13
    chlorobenzene 307.88
    dimethyl carbonate 185.53
    n-octane 50.11
    formamide 523.23
    cyclopentanone 2452.64
    2-pentanone 1796.65
    anisole 427.16
    cyclopentyl methyl ether 1778.16
    gamma-butyrolactone 2018.67
    1-methoxy-2-propanol 2260.56
    pyridine 825.66
    3-pentanone 789.92
    furfural 1008.94
    n-dodecane 27.3
    diethylene glycol 1035.58
    diisopropyl ether 494.0
    tert-amyl alcohol 1928.39
    acetylacetone 1246.78
    n-hexadecane 31.09
    acetophenone 399.9
    methyl propionate 797.8
    isopentyl acetate 1088.15
    trichloroethylene 1105.15
    n-nonanol 416.55
    cyclohexanol 1408.65
    benzyl alcohol 439.15
    2-ethylhexanol 785.22
    isooctanol 480.41
    dipropyl ether 902.6
    1,2-dichlorobenzene 302.15
    ethyl lactate 345.11
    propylene carbonate 826.45
    n-methylformamide 1283.78
    2-pentanol 1573.31
    n-pentane 232.03
    1-propoxy-2-propanol 1483.76
    1-methoxy-2-propyl acetate 953.34
    2-(2-methoxypropoxy) propanol 614.51
    mesitylene 188.05
    ε-caprolactone 1346.73
    p-cymene 136.3
    epichlorohydrin 1719.34
    1,1,1-trichloroethane 656.76
    2-aminoethanol 1324.18
    morpholine-4-carbaldehyde 1336.0
    sulfolane 2503.76
    2,2,4-trimethylpentane 91.32
    2-methyltetrahydrofuran 2533.82
    n-hexyl acetate 850.5
    isooctane 94.32
    2-(2-butoxyethoxy)ethanol 1063.6
    sec-butyl acetate 658.3
    tert-butyl acetate 1093.05
    decalin 117.1
    glycerin 808.38
    diglyme 1576.74
    acrylic acid 641.05
    isopropyl myristate 261.6
    n-butyric acid 1930.67
    acetyl acetate 414.32
    di(2-ethylhexyl) phthalate 230.89
    ethyl propionate 699.16
    nitromethane 1330.48
    1,2-diethoxyethane 1127.33
    benzonitrile 445.17
    trioctyl phosphate 209.76
    1-bromopropane 682.53
    gamma-valerolactone 2112.16
    n-decanol 294.83
    triethyl phosphate 210.99
    4-methyl-2-pentanol 772.97
    propionitrile 791.67
    vinylene carbonate 553.52
    1,1,2-trichlorotrifluoroethane 1077.58
    DMS 353.12
    cumene 165.4
    2-octanol 401.56
    2-hexanone 1299.42
    octyl acetate 335.48
    limonene 282.92
    1,2-dimethoxyethane 1969.68
    ethyl orthosilicate 235.12
    tributyl phosphate 263.19
    diacetone alcohol 1386.72
    N,N-dimethylaniline 311.19
    acrylonitrile 720.22
    aniline 489.3
    1,3-propanediol 1600.59
    bromobenzene 290.09
    dibromomethane 645.25
    1,1,2,2-tetrachloroethane 1096.52
    2-methyl-cyclohexyl acetate 480.92
    tetrabutyl urea 330.16
    diisobutyl methanol 411.59
    2-phenylethanol 509.34
    styrene 233.17
    dioctyl adipate 371.65
    dimethyl sulfate 356.6
    ethyl butyrate 670.1
    methyl lactate 433.83
    butyl lactate 531.05
    diethyl carbonate 311.41
    propanediol butyl ether 939.69
    triethyl orthoformate 415.97
    p-tert-butyltoluene 153.31
    methyl 4-tert-butylbenzoate 397.68
    morpholine 2456.96
    tert-butylamine 2021.87
    n-dodecanol 210.27
    dimethoxymethane 1289.22
    ethylene carbonate 534.72
    cyrene 471.56
    2-ethoxyethyl acetate 655.96
    2-ethylhexyl acetate 769.09
    1,2,4-trichlorobenzene 339.97
    4-methylpyridine 881.63
    dibutyl ether 697.39
    2,6-dimethyl-4-heptanol 411.59
    DEF 1435.73
    dimethyl isosorbide 917.79
    tetrachloroethylene 772.72
    eugenol 423.73
    triacetin 509.97
    span 80 654.71
    1,4-butanediol 680.47
    1,1-dichloroethane 850.33
    2-methyl-1-pentanol 1195.51
    methyl formate 548.81
    2-methyl-1-butanol 1454.77
    n-decane 56.73
    butyronitrile 1160.56
    3,7-dimethyl-1-octanol 539.31
    1-chlorooctane 263.99
    1-chlorotetradecane 79.96
    n-nonane 62.99
    undecane 37.43
    tert-butylcyclohexane 141.87
    cyclooctane 69.4
    cyclopentanol 1850.8
    tetrahydropyran 2408.28
    tert-amyl methyl ether 1031.61
    2,5,8-trioxanonane 963.07
    1-hexene 1472.71
    2-isopropoxyethanol 1103.13
    2,2,2-trifluoroethanol 249.24
    methyl butyrate 1039.99

    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
Hyssop (France) 1 8006-83-5 Hyssopus officinalis L., fam. Lamiaceae (Labiatae) 0.05%
Linden blossom flower Tilia cordata Mill. (Tilia glabra Vent.), fam. Tiliaceae 0.75%
Apple flower Malus arnoldiana (Rehd) Sarg. var. Redgold, fam. Rosaceae 1.0%
Hedychium coronarium flower (Japan) Hedychium coronarium Koenig, fam. Zingiberaceae 0.01%
Sederitis dichotoma (Turkey) Sideritis dichotoma Huter, fam. Lamiaceae (Labiatae) 1.5%
Ambrette seed 4 8015-62-1 Hibiscus abelmoschus L. (Abelmoschus moschatus Moench), fam. Malvaceae 1.2%
Ambrette seed 3 8015-62-1 Hibiscus abelmoschus L. (Abelmoschus moschatus Moench), fam. Malvaceae 2.0%
Rhus coriaria Rhus coriaria L., fam. Anarcadiaceae 1.5%
Genet absolute 2 8023-80-1 Spartium junceum L., fam. Leguminosae (Papilionaceae) 0.03%
Oenothera odorata flower headspace (China) Oenothera odorata Jacq., fam. Onagraceae 1.32%
Daphne tangutica flower concrete (China) Daphne tangutica Maxim., fam. Thymelaeaceae 0.27%
Micromeria carminea (Turkey) Micromeria carminea P.H. Davis (syn.M.cristata), fam. Lamiaceae (Labiatae) 0.78%
Sideritis amasiaca (Turkey) Sideritis amasiaca Bornm., fam. Lamiaceae (Labiatae) 2.38%
Averrhoa bilimbi fruit (Malaysia) Averrhoa bilimbi L., fam. Oxalidaceae 1.7%
Rhubarb root Rheum palmatum L., fam. Polygonaceae 0.6%
Zizyphus jujuba fruit (Malaysia) Zizyphus jujuba Mill. var. inermis, fam. Rhamnaceae 0.4%
Boronia megastigma 91771-36-7 Boronia megastigma Nees., fam. Rutaceae 0.15%
Sudachi peel (Japan) Citrus sudachi Hort. ex Shirai, fam. Rutaceae 0.01%
Mochiyuzu peel (Japan) Citrus inflata Hort. ex Tanaka, fam. Rutaceae 0.01%
Sideritis condensata Sideritis condensata Boiss. et Heldr., fam. Lamiaceae (Labiatae) 0.9%
Jasmine rose absolute (India) Gardenia jasminoides Ellis, fam. Rubiaceae 0.64%
Acacia confusa flower (China) Acacia confusa Merr., fam. Mimosaceae (Leguminosae) 0.5%
Tamarind 3 fruit Tamarindus indica L., fam. Leguminosae 0.01%
Pelargonium reniforme Pelargonium reniforme Curt., fam. Geraniaceae 0.1%
Roman chamomile (Germany) 1a hydrodistillate 8015-92-7 Anthemis nobilis L., fam. Asteraceae (Compositae) 0.04%
Spearmint, scotch (Japan) Mentha gracilis Sole, fam. Lamiaceae (Labiatae) 1.38%
Genipap fruit (Brazil) Genipa americana L., fam. Rubiaceae 0.7%
Cassia, bark (China) 4a 8007-80-5 Cinnamomum cassia Blume, fam. Lauraceae 0.01%
Cassia, leaf (China) 4b 8007-80-5 Cinnamomum cassia Blume, fam. Lauraceae 0.05%
Carob bean powder 2a raw 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.03%
Carob bean powder 2b roasted 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.03%
Kohlrabi, green (seed) Brassica oleraceae var. gongylodes, fam. Brassicaceae (Cruciferae) 0.05%
Dialium guineense fruit Dialium guineense Wild., fam. Cesalpinaceae 11.4%
Inula verbascifolia ssp. methanea Inula verbascifolia ssp methanea (Hausskn.) Turin, fam. Asteraceae 0.01%
Myrtle leaf (Turkey) 2 8008-46-6 Myrtus communis L., fam. Myrtaceae 0.1%
Anthoxanthum odoratum (Italy) 1b hay Anthoxanthum odoratum L., fam. Poaceae (Gramineae) 1.0%
Catharanthus roseus leaf Catharanthus roseus (L.) G. Don, fam. Apocynaceae 0.3%
Catharanthus roseus marcs Catharanthus roseus (L.) G. Don, fam. Apocynaceae 1.1%
Lime (Mexican, West Indian, Key) (Vietnam) 8008-26-2 Citrus aurantifolia (Christm.) Swingle, fam. Rutaceae 0.02%
Leea guineensis (Cameroon) 1a wood Leea guineensis G. Don, fam. Leeaceae 4.3%
Leea guineensis (Cameroon) 1b leaf Leea guineensis G. Don, fam. Leeaceae 3.8%
Cassie absolute 1a extract 8023-82-3 Acacia farnesiana (L.) Willd., fam. Mimosaceae (Leguminosae) 0.5%
Rocket leaf 2 headspace Eruca sativa L., fam. Brassicaceae 0.8%
Baga fruit Annona glabra L., fam. Annonaceae 0.01%