Citronellic acid

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  • Identifiers

    CAS number
    502-47-6

    Molecular formula
    C10H18O2

    SMILES
    CC(CCC=C(C)C)CC(=O)O

    Safety labels

    Acute Toxic
    Acute Toxic

    Retention indicies (RI)

    • Carbowax: 2257.0

  • Odor profile

    Green 74.85%
    Floral 69.96%
    Waxy 64.52%
    Fatty 58.95%
    Citrus 56.9%
    Fruity 47.74%
    Rose 43.44%
    Oily 36.12%
    Herbal 36.03%
    Melon 34.58%

    Scent© AI

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    8.9 (weak base)

    Molecular weight
    170.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 257 °C

    Boiling point

    • 121.00 to 122.00 °C. @ 1.00 mm Hg

    Flash point est.
    130.18 ˚C

    Solubility expt.

    • slightly
    • Insoluble in glycerol, water; soluble in most fixed oils, propylene glycol
    • soluble (in ethanol)

  • Synonyms

    • Citronellic acid
    • 502-47-6
    • 3,7-dimethyloct-6-enoic acid
    • 3,7-Dimethyl-6-octenoic acid
    • Rhodinolic acid
    • Rhodinic Acid
    • 6-OCTENOIC ACID, 3,7-DIMETHYL-
    • FEMA No. 3142
    • Citronellate
    • EINECS 207-939-7
    • BRN 1722960
    • 57030-77-0
    • DTXSID1047106
    • CHEBI:80507
    • 1JJT408R87
    • MFCD00002728
    • CITRONELLIC ACID [FHFI]
    • DTXCID9027106
    • 4-02-00-01610 (Beilstein Handbook Reference)
    • Callitrol
    • UNII-1JJT408R87
    • (R)-3,7-dimethyl-6-octenoic acid
    • Citronellic acid, 98%
    • 3,7Dimethyl6octenoic acid
    • 6Octenoic acid, 3,7dimethyl
    • SCHEMBL193354
    • CITRONELLIC ACID [INCI]
    • CHEMBL2288023
    • 3,7-dimethyl-oct-6-enoic acid
    • FEMA 3142
    • CITRONELLIC ACID, (+/-)
    • 3(rs),7-dimethyl-6-octenoic acid
    • AAA50247
    • STR02820
    • Tox21_302694
    • BBL027400
    • CITRONELLIC ACID, (+/-)-
    • LMFA01020104
    • STK801994
    • AKOS015894379
    • NCGC00256732-01
    • CAS-502-47-6
    • SY267119
    • DB-045485
    • DB-065695
    • DB-318943
    • DB-325553
    • C1708
    • CS-0173714
    • NS00012108
    • 3,7-Dimethyl-6-octenoic acid, >=95%, FG
    • D89451
    • EN300-111384
    • 3,7-Dimethyl-6-octenoic acid, natural, 97%, FG
    • Q2182744
    • Z1255423445
    • 207-939-7

  • Applications

    Citronellic acid (CAS 502-47-6) is an unsaturated monoterpenoid carboxylic acid used chiefly as a versatile intermediate: its esters impart fresh citrus notes and improve scent longevity in perfumes, candles, and household cleaners; it serves as a synthetic building block for higher terpenes, vitamin-like motifs, and exploratory pharmaceutical actives; a precursor to bio-based surfactants, emulsifiers, lubricants, and plasticizers due to its branched hydrophobic chain and reactive functionality; a handle for polymer modification, UV/oxidation-curable coatings, and corrosion-resistant finishes; and an intermediate for agrochemical actives and semiochemicals used in insect management. Derivatives are also investigated for mild antimicrobial and insect-repellent effects, with final uses governed by purity grade, safety standards, and regulatory approvals.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1124.71
    methanol 1282.06
    isopropanol 931.8
    water 2.66
    ethyl acetate 199.55
    n-propanol 635.45
    acetone 421.67
    n-butanol 609.41
    acetonitrile 201.79
    DMF 534.91
    toluene 56.24
    isobutanol 472.36
    1,4-dioxane 687.68
    methyl acetate 162.65
    THF 999.76
    2-butanone 230.02
    n-pentanol 442.22
    sec-butanol 502.28
    n-hexane 77.22
    ethylene glycol 221.06
    NMP 344.35
    cyclohexane 42.39
    DMSO 454.91
    n-butyl acetate 220.28
    n-octanol 230.52
    chloroform 254.64
    n-propyl acetate 142.86
    acetic acid 465.92
    dichloromethane 140.28
    cyclohexanone 363.99
    propylene glycol 500.7
    isopropyl acetate 159.25
    DMAc 293.51
    2-ethoxyethanol 445.72
    isopentanol 485.71
    n-heptane 37.15
    ethyl formate 141.07
    1,2-dichloroethane 108.54
    n-hexanol 648.75
    2-methoxyethanol 813.73
    isobutyl acetate 126.74
    tetrachloromethane 42.04
    n-pentyl acetate 125.32
    transcutol 1047.87
    n-heptanol 244.82
    ethylbenzene 52.0
    MIBK 193.88
    2-propoxyethanol 692.98
    tert-butanol 1084.69
    MTBE 366.37
    2-butoxyethanol 334.16
    propionic acid 311.39
    o-xylene 56.91
    formic acid 186.53
    diethyl ether 242.15
    m-xylene 82.56
    p-xylene 68.12
    chlorobenzene 68.13
    dimethyl carbonate 49.09
    n-octane 14.7
    formamide 162.46
    cyclopentanone 389.54
    2-pentanone 239.04
    anisole 140.14
    cyclopentyl methyl ether 339.23
    gamma-butyrolactone 368.74
    1-methoxy-2-propanol 697.04
    pyridine 172.88
    3-pentanone 118.69
    furfural 278.85
    n-dodecane 12.14
    diethylene glycol 483.51
    diisopropyl ether 101.29
    tert-amyl alcohol 598.48
    acetylacetone 213.38
    n-hexadecane 13.22
    acetophenone 108.21
    methyl propionate 138.08
    isopentyl acetate 216.2
    trichloroethylene 191.68
    n-nonanol 191.64
    cyclohexanol 416.6
    benzyl alcohol 166.62
    2-ethylhexanol 266.36
    isooctanol 186.03
    dipropyl ether 185.62
    1,2-dichlorobenzene 69.07
    ethyl lactate 110.91
    propylene carbonate 204.4
    n-methylformamide 257.57
    2-pentanol 420.03
    n-pentane 44.85
    1-propoxy-2-propanol 510.22
    1-methoxy-2-propyl acetate 239.93
    2-(2-methoxypropoxy) propanol 280.87
    mesitylene 63.54
    ε-caprolactone 285.52
    p-cymene 53.49
    epichlorohydrin 361.97
    1,1,1-trichloroethane 122.57
    2-aminoethanol 523.61
    morpholine-4-carbaldehyde 460.08
    sulfolane 383.83
    2,2,4-trimethylpentane 27.42
    2-methyltetrahydrofuran 552.87
    n-hexyl acetate 228.48
    isooctane 31.73
    2-(2-butoxyethoxy)ethanol 436.02
    sec-butyl acetate 110.55
    tert-butyl acetate 223.08
    decalin 26.97
    glycerin 465.39
    diglyme 498.1
    acrylic acid 194.8
    isopropyl myristate 95.89
    n-butyric acid 450.41
    acetyl acetate 100.14
    di(2-ethylhexyl) phthalate 105.1
    ethyl propionate 112.87
    nitromethane 331.22
    1,2-diethoxyethane 254.89
    benzonitrile 135.03
    trioctyl phosphate 86.18
    1-bromopropane 90.93
    gamma-valerolactone 537.73
    n-decanol 147.92
    triethyl phosphate 67.26
    4-methyl-2-pentanol 259.62
    propionitrile 171.19
    vinylene carbonate 153.59
    1,1,2-trichlorotrifluoroethane 299.54
    DMS 99.01
    cumene 52.28
    2-octanol 156.07
    2-hexanone 204.68
    octyl acetate 131.34
    limonene 92.24
    1,2-dimethoxyethane 510.4
    ethyl orthosilicate 74.42
    tributyl phosphate 95.93
    diacetone alcohol 383.41
    N,N-dimethylaniline 105.19
    acrylonitrile 150.57
    aniline 151.63
    1,3-propanediol 616.7
    bromobenzene 52.87
    dibromomethane 112.47
    1,1,2,2-tetrachloroethane 213.9
    2-methyl-cyclohexyl acetate 145.89
    tetrabutyl urea 117.84
    diisobutyl methanol 141.45
    2-phenylethanol 209.71
    styrene 51.78
    dioctyl adipate 128.46
    dimethyl sulfate 76.05
    ethyl butyrate 129.92
    methyl lactate 143.78
    butyl lactate 151.17
    diethyl carbonate 76.29
    propanediol butyl ether 410.89
    triethyl orthoformate 110.21
    p-tert-butyltoluene 58.54
    methyl 4-tert-butylbenzoate 162.68
    morpholine 877.08
    tert-butylamine 582.73
    n-dodecanol 111.23
    dimethoxymethane 299.84
    ethylene carbonate 141.46
    cyrene 211.7
    2-ethoxyethyl acetate 160.71
    2-ethylhexyl acetate 156.8
    1,2,4-trichlorobenzene 87.48
    4-methylpyridine 197.89
    dibutyl ether 144.18
    2,6-dimethyl-4-heptanol 141.45
    DEF 202.07
    dimethyl isosorbide 384.3
    tetrachloroethylene 130.66
    eugenol 176.42
    triacetin 162.09
    span 80 319.17
    1,4-butanediol 258.31
    1,1-dichloroethane 140.66
    2-methyl-1-pentanol 345.39
    methyl formate 150.69
    2-methyl-1-butanol 389.84
    n-decane 20.38
    butyronitrile 259.58
    3,7-dimethyl-1-octanol 214.75
    1-chlorooctane 77.32
    1-chlorotetradecane 32.11
    n-nonane 20.34
    undecane 15.1
    tert-butylcyclohexane 36.06
    cyclooctane 17.4
    cyclopentanol 484.9
    tetrahydropyran 567.58
    tert-amyl methyl ether 241.27
    2,5,8-trioxanonane 386.17
    1-hexene 188.61
    2-isopropoxyethanol 314.1
    2,2,2-trifluoroethanol 96.34
    methyl butyrate 151.25

    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
Lemon balm 2 8014-71-9 Melissa officinalis L., fam. Lamiaceae (Labiatae) 0.3%
Blackcurrant bud 1 68606-81-5 Ribes nigrum L., fam. Grossulariaceae 0.09%
Citronella java (China) 8000-29-1 Cymbopogon winterianus Jowitt., fam. Poaceae (Gramineae) 0.17%
Citronella java (Argentina) 2 8000-29-1 Cymbopogon winterianus Jowitt., fam. Poaceae (Gramineae) 0.17%
Citronella java (S. America) 8000-29-1 Cymbopogon winterianus Jowitt., fam. Poaceae (Gramineae) 0.15%
Citronella java 3 8000-29-1 Cymbopogon winterianus Jowitt., fam. Poaceae (Gramineae) 0.13%
Swangi (Citrus hystrix) leaf (Thailand) 2b Citrus hystrix DC (Swangi), fam. Rutaceae 0.1%
Swangi (Citrus hystrix) peel (Thailand) 2c Citrus hystrix DC (Swangi), fam. Rutaceae 0.33%
Swangi (Citrus hystrix) twig (Thailand) 2e Citrus hystrix DC (Swangi), fam. Rutaceae 0.52%
Rose (Bulgaria) 2 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.01%
Grapefruit leaf (Mauritius) 90045-43-5 Citrus paradisi Macfayden, fam. Rutaceae 0.41%
Eucalyptus citriodora (Morocco) 8008-48-4 Eucalyptus citriodora Hook. f., fam. Myrtaceae 4.7%
Litsea cubeba (India) 2a stem 68555-99-2 Litsea cubeba (Lour.) Pers. (L. citrata Blume), fam. Lauraceae 5.1%
Litsea cubeba (India) 2c fruit 68555-99-2 Litsea cubeba (Lour.) Pers. (L. citrata Blume), fam. Lauraceae 0.2%
Spearmint, scotch (Japan) Mentha gracilis Sole, fam. Lamiaceae (Labiatae) 0.08%
Rosemary (Japan) 8000-25-7 Rosmarinus officinalis L., fam. Lamiaceae (Labiatae) 0.01%
Geranium (India) 15a cv. Kunti 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, cv. Kunti, fam. Geraniaceae 0.2%
Geranium (India) 15b cv. Kunti variant 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, cv.Kunti variant, fam. Geraniace 0.1%