Citronellyl phenylacetate

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  • Identifiers

    CAS number
    139-70-8

    Molecular formula
    C18H26O2

    SMILES
    CC(CCC=C(C)C)CCOC(=O)CC1=CC=CC=C1

  • Odor profile

    Fragrance
    Floral 92.24%
    Rose 85.74%
    Sweet 74.34%
    Honey 66.81%
    Waxy 59.13%
    Green 52.75%
    Balsamic 46.46%
    Geranium 44.84%
    Lily 44.2%
    Powdery 39.56%

     

    Flavor
    Floral 65.73%
    Green 60.77%
    Rose 58.11%
    Waxy 58.09%
    Sweet 56.81%
    Fruity 44.9%
    Honey 42.52%
    Bitter 36.01%
    Tropical 35.14%
    Balsam 32.63%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.4

    pKa est.
    7.65 (neutral)

    Molecular weight
    274.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point

    • 342.00 °C. @ 760.00 mm Hg

    Flash point

    • 146.16 ˚C est.

    Solubility expt.

    • Insoluble in water; soluble in oils
    • Miscible at room temperature (in ethanol)

  • Synonyms

    • Citronellyl phenylacetate
    • 139-70-8
    • Citronellyl alpha-toluate
    • 3,7-dimethyloct-6-enyl 2-phenylacetate
    • FEMA No. 2315
    • Benzeneacetic acid, 3,7-dimethyl-6-octenyl ester
    • Benzeneacetic acid,3,7-dimethyl-6-octen-1-yl ester
    • 3,7-Dimethyl-6-octen-1-yl phenylacetate
    • 3,7-Dimethyl-6-octenyl benzeneacetate
    • 3,7-DIMETHYLOCT-6-EN-1-YL 2-PHENYLACETATE
    • Benzeneacetic acid, 3,7-dimethyl-6-octen-1-yl ester
    • EINECS 205-373-5
    • UNII-HH43UJ4D76
    • 3,7-Dimethyl-6-octenyl phenylacetate
    • ACETIC ACID, PHENYL-, 3,7-DIMETHYL-6-OCTENYL ESTER
    • HH43UJ4D76
    • DTXSID90861804
    • CITRONELLYL .ALPHA.-TOLUATE
    • CITRONELLYL PHENYLACETATE [FHFI]
    • (+/-)-CITRONELLYL PHENYLACETATE
    • CITRONELLYL PHENYLACETATE, (+/-)-
    • 6-OCTEN-1-OL, 3,7-DIMETHYL-, PHENYLACETATE
    • PHENYLACETIC ACID, 3,7-DIMETHYL-6-OCTENYL ESTER
    • citronellyl phenyl acetate
    • FEMA 2315
    • Citronellyl a-toluate
    • SCHEMBL874243
    • DTXCID40810680
    • CVJBFMVLVJZZMM-UHFFFAOYSA-N
    • AAA13970
    • BCP32507
    • LMFA07010813
    • AKOS037646359
    • AS-68339
    • NS00012119
    • D93311
    • E 2157
    • Q27279930
    • Citronellyl alpha-toluate;3,7-Dimethyl-6-octenyl phenylacetate
    • 205-373-5

  • Applications

    Citronellyl phenylacetate (CAS 139-70-8) is primarily used as a fragrance ingredient in perfumery, where it contributes floral-citrus notes and can function as an odorant as well as a fixative to extend scent longevity. In cosmetics and personal care, it is commonly formulated into lotions, creams, and haircare products to impart a floral-citrus character. In household products, it serves as a fragrance additive for cleaners, detergents, and air fresheners to deliver pleasant, long-lasting fragrance. In flavor formulations, it may be evaluated for use to impart floral-fruity notes where permitted. The substance is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1139.98
    methanol 968.96
    isopropanol 634.51
    water 0.16
    ethyl acetate 811.16
    n-propanol 764.31
    acetone 700.8
    n-butanol 659.03
    acetonitrile 460.03
    DMF 452.64
    toluene 355.24
    isobutanol 420.92
    1,4-dioxane 1364.96
    methyl acetate 514.8
    THF 1339.99
    2-butanone 643.93
    n-pentanol 465.21
    sec-butanol 545.54
    n-hexane 38.45
    ethylene glycol 39.85
    NMP 355.34
    cyclohexane 99.68
    DMSO 682.77
    n-butyl acetate 471.6
    n-octanol 133.75
    chloroform 1953.81
    n-propyl acetate 449.57
    acetic acid 388.73
    dichloromethane 1751.65
    cyclohexanone 800.94
    propylene glycol 155.16
    isopropyl acetate 419.83
    DMAc 594.58
    2-ethoxyethanol 580.36
    isopentanol 499.99
    n-heptane 23.91
    ethyl formate 313.27
    1,2-dichloroethane 1044.32
    n-hexanol 416.69
    2-methoxyethanol 819.83
    isobutyl acetate 284.91
    tetrachloromethane 135.03
    n-pentyl acetate 241.22
    transcutol 2207.24
    n-heptanol 150.12
    ethylbenzene 186.25
    MIBK 313.03
    2-propoxyethanol 626.38
    tert-butanol 553.45
    MTBE 539.6
    2-butoxyethanol 326.12
    propionic acid 294.14
    o-xylene 180.6
    formic acid 80.65
    diethyl ether 767.34
    m-xylene 214.3
    p-xylene 226.65
    chlorobenzene 418.2
    dimethyl carbonate 123.62
    n-octane 10.32
    formamide 158.76
    cyclopentanone 651.17
    2-pentanone 526.67
    anisole 388.47
    cyclopentyl methyl ether 487.0
    gamma-butyrolactone 589.24
    1-methoxy-2-propanol 609.48
    pyridine 806.48
    3-pentanone 359.15
    furfural 500.17
    n-dodecane 9.52
    diethylene glycol 313.02
    diisopropyl ether 141.3
    tert-amyl alcohol 440.9
    acetylacetone 500.28
    n-hexadecane 11.3
    acetophenone 327.76
    methyl propionate 402.65
    isopentyl acetate 402.58
    trichloroethylene 1606.96
    n-nonanol 127.94
    cyclohexanol 460.09
    benzyl alcohol 310.96
    2-ethylhexanol 213.75
    isooctanol 129.1
    dipropyl ether 292.04
    1,2-dichlorobenzene 356.22
    ethyl lactate 165.73
    propylene carbonate 365.54
    n-methylformamide 239.32
    2-pentanol 381.01
    n-pentane 28.05
    1-propoxy-2-propanol 444.85
    1-methoxy-2-propyl acetate 430.51
    2-(2-methoxypropoxy) propanol 351.64
    mesitylene 120.05
    ε-caprolactone 616.0
    p-cymene 102.49
    epichlorohydrin 1109.94
    1,1,1-trichloroethane 680.52
    2-aminoethanol 200.13
    morpholine-4-carbaldehyde 559.81
    sulfolane 548.62
    2,2,4-trimethylpentane 23.08
    2-methyltetrahydrofuran 886.91
    n-hexyl acetate 327.65
    isooctane 16.74
    2-(2-butoxyethoxy)ethanol 520.46
    sec-butyl acetate 304.53
    tert-butyl acetate 367.79
    decalin 45.55
    glycerin 148.48
    diglyme 986.19
    acrylic acid 178.77
    isopropyl myristate 129.7
    n-butyric acid 611.37
    acetyl acetate 347.37
    di(2-ethylhexyl) phthalate 133.0
    ethyl propionate 340.75
    nitromethane 574.24
    1,2-diethoxyethane 670.87
    benzonitrile 345.08
    trioctyl phosphate 84.31
    1-bromopropane 594.51
    gamma-valerolactone 843.04
    n-decanol 92.16
    triethyl phosphate 141.66
    4-methyl-2-pentanol 185.76
    propionitrile 377.74
    vinylene carbonate 327.66
    1,1,2-trichlorotrifluoroethane 529.02
    DMS 244.39
    cumene 120.19
    2-octanol 97.35
    2-hexanone 409.93
    octyl acetate 157.71
    limonene 151.7
    1,2-dimethoxyethane 890.07
    ethyl orthosilicate 145.2
    tributyl phosphate 114.45
    diacetone alcohol 377.04
    N,N-dimethylaniline 221.53
    acrylonitrile 339.85
    aniline 379.25
    1,3-propanediol 386.55
    bromobenzene 437.57
    dibromomethane 1070.98
    1,1,2,2-tetrachloroethane 1387.36
    2-methyl-cyclohexyl acetate 263.03
    tetrabutyl urea 146.56
    diisobutyl methanol 114.11
    2-phenylethanol 303.79
    styrene 238.24
    dioctyl adipate 211.1
    dimethyl sulfate 160.42
    ethyl butyrate 347.4
    methyl lactate 159.18
    butyl lactate 201.54
    diethyl carbonate 220.3
    propanediol butyl ether 276.31
    triethyl orthoformate 234.07
    p-tert-butyltoluene 96.2
    methyl 4-tert-butylbenzoate 256.46
    morpholine 1659.28
    tert-butylamine 307.98
    n-dodecanol 69.91
    dimethoxymethane 527.2
    ethylene carbonate 313.56
    cyrene 252.71
    2-ethoxyethyl acetate 382.25
    2-ethylhexyl acetate 311.63
    1,2,4-trichlorobenzene 401.68
    4-methylpyridine 687.01
    dibutyl ether 236.22
    2,6-dimethyl-4-heptanol 114.11
    DEF 456.87
    dimethyl isosorbide 534.36
    tetrachloroethylene 725.14
    eugenol 263.67
    triacetin 331.76
    span 80 290.97
    1,4-butanediol 138.07
    1,1-dichloroethane 925.55
    2-methyl-1-pentanol 383.4
    methyl formate 155.41
    2-methyl-1-butanol 420.88
    n-decane 17.18
    butyronitrile 485.76
    3,7-dimethyl-1-octanol 158.93
    1-chlorooctane 98.77
    1-chlorotetradecane 39.97
    n-nonane 15.43
    undecane 12.13
    tert-butylcyclohexane 39.03
    cyclooctane 21.65
    cyclopentanol 327.43
    tetrahydropyran 1423.83
    tert-amyl methyl ether 326.64
    2,5,8-trioxanonane 627.29
    1-hexene 230.94
    2-isopropoxyethanol 376.01
    2,2,2-trifluoroethanol 78.94
    methyl butyrate 475.07

    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