Benzyl propionate

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  • Identifiers

    CAS number
    122-63-4

    Molecular formula
    C10H12O2

    SMILES
    CCC(=O)OCC1=CC=CC=C1

    Retention indicies (RI)

    • DB5: 1256.0
    • Carbowax: 1679.0

  • Odor profile

    Fruity 97.4%
    Sweet 83.48%
    Floral 83.28%
    Tropical 51.19%
    Balsamic 48.6%
    Cherry 48.14%
    Rose 47.62%
    Apricot 47.12%
    Pineapple 46.89%
    Jasmin 46.24%

    Scent© AI

  • Properties

    XLogP3-AA
    2.4

    Molecular weight
    164.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point

    • 220.00 to 222.00 °C. @ 760.00 mm Hg

    Flash point est.
    99.47 ˚C

    Solubility expt.

    • slightly
    • insoluble in water; poorly soluble in glycerol, glycols, and mineral oil
    • miscible at room temperature (in ethanol)

  • Synonyms

    • BENZYL PROPIONATE
    • 122-63-4
    • Benzyl propanoate
    • Propanoic acid, phenylmethyl ester
    • Propionic acid, benzyl ester
    • Propionic Acid Benzyl Ester
    • Phenylmethyl propanoate
    • Phenylmethyl propionate
    • Benzyl propionate (natrual)
    • FEMA No. 2150
    • Benzyl n-propionate
    • enzyl n-propionate
    • EINECS 204-559-3
    • NSC 46100
    • DTXSID4044791
    • UNII-307DN1208L
    • AI3-02952
    • FEMA 2150
    • MFCD00027003
    • NSC-46100
    • 307DN1208L
    • Propionic acid-benzyl ester
    • BENZYL PROPIONATE [FCC]
    • BENZYL PROPIONATE [FHFI]
    • DTXCID2024791
    • Propionic acid, benzyl ester (6CI,7CI,8CI)
    • EC 204-559-3
    • benzyl propanate
    • benzyl propionic acid
    • Benzyl propanoic acid
    • propanoic acid benzyl ester
    • SCHEMBL111605
    • CHEMBL3185609
    • CHEBI:180401
    • Benzyl propionate, >=98%, FCC
    • NSC46100
    • Tox21_301783
    • Benzyl propionate, analytical standard
    • AKOS005206945
    • DS-6366
    • Benzyl propionate, >=98%, FCC, FG
    • NCGC00256011-01
    • AC-17034
    • CAS-122-63-4
    • CS-0017193
    • NS00005488
    • P0501
    • Benzyl propionate, natural, >=98%, FCC, FG
    • E80882
    • Q10869281
    • 204-559-3
    • Propionic acid, benzyl ester (6CI,7CI,8CI); Benzyl propanoate; Benzyl propionate; NSC 46100; Phenylmethyl propanoate

  • Applications

    Benzyl propionate (CAS 122-63-4) is a sweet, floral–fruity ester of benzyl alcohol and propionic acid that serves as a versatile fragrance and flavour ingredient, giving jasmine-like, apricot and berry nuances to fine perfumes, toilet soaps, detergents, fabric softeners, air-freshening candles or sprays, and is dosed in food formulations such as confectionery, baked goods and beverages under IFRA/FEMA safety limits; it also functions as a carrier solvent in aerosol perfume bases, a fixative that extends scent longevity, an intermediate for pharmaceuticals and agrochemicals, and a plasticiser/processing aid for cellulose-based plastics and coatings, where its moderate volatility, good solvency and low toxicity profile enhance flexibility, gloss and overall sensory appeal of the finished product.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 622.88
    methanol 858.79
    isopropanol 323.93
    water 1.27
    ethyl acetate 813.41
    n-propanol 394.73
    acetone 496.99
    n-butanol 382.43
    acetonitrile 922.85
    DMF 616.99
    toluene 350.0
    isobutanol 275.76
    1,4-dioxane 1111.88
    methyl acetate 669.24
    THF 587.6
    2-butanone 563.68
    n-pentanol 350.6
    sec-butanol 329.07
    n-hexane 43.9
    ethylene glycol 92.08
    NMP 346.37
    cyclohexane 52.5
    DMSO 639.51
    n-butyl acetate 605.37
    n-octanol 153.04
    chloroform 2044.24
    n-propyl acetate 565.41
    acetic acid 756.43
    dichloromethane 2055.57
    cyclohexanone 579.86
    propylene glycol 104.1
    isopropyl acetate 396.95
    DMAc 806.6
    2-ethoxyethanol 578.7
    isopentanol 377.67
    n-heptane 23.97
    ethyl formate 466.22
    1,2-dichloroethane 1093.0
    n-hexanol 295.97
    2-methoxyethanol 614.39
    isobutyl acetate 327.86
    tetrachloromethane 148.27
    n-pentyl acetate 245.99
    transcutol 2394.82
    n-heptanol 135.23
    ethylbenzene 257.72
    MIBK 277.47
    2-propoxyethanol 459.62
    tert-butanol 489.9
    MTBE 504.65
    2-butoxyethanol 284.34
    propionic acid 414.94
    o-xylene 219.21
    formic acid 260.99
    diethyl ether 614.43
    m-xylene 186.61
    p-xylene 306.65
    chlorobenzene 508.92
    dimethyl carbonate 205.36
    n-octane 13.33
    formamide 510.67
    cyclopentanone 477.92
    2-pentanone 413.92
    anisole 565.88
    cyclopentyl methyl ether 290.45
    gamma-butyrolactone 624.9
    1-methoxy-2-propanol 377.97
    pyridine 1028.41
    3-pentanone 347.9
    furfural 765.77
    n-dodecane 13.58
    diethylene glycol 308.62
    diisopropyl ether 127.13
    tert-amyl alcohol 461.29
    acetylacetone 496.36
    n-hexadecane 15.77
    acetophenone 491.1
    methyl propionate 413.64
    isopentyl acetate 489.8
    trichloroethylene 2101.63
    n-nonanol 134.57
    cyclohexanol 260.01
    benzyl alcohol 393.14
    2-ethylhexanol 212.19
    isooctanol 122.75
    dipropyl ether 229.64
    1,2-dichlorobenzene 478.88
    ethyl lactate 179.27
    propylene carbonate 449.6
    n-methylformamide 371.68
    2-pentanol 260.49
    n-pentane 27.38
    1-propoxy-2-propanol 310.19
    1-methoxy-2-propyl acetate 398.71
    2-(2-methoxypropoxy) propanol 356.39
    mesitylene 112.44
    ε-caprolactone 562.22
    p-cymene 113.09
    epichlorohydrin 956.27
    1,1,1-trichloroethane 764.5
    2-aminoethanol 203.06
    morpholine-4-carbaldehyde 668.1
    sulfolane 517.8
    2,2,4-trimethylpentane 28.07
    2-methyltetrahydrofuran 458.64
    n-hexyl acetate 363.12
    isooctane 17.87
    2-(2-butoxyethoxy)ethanol 490.86
    sec-butyl acetate 374.16
    tert-butyl acetate 377.01
    decalin 48.34
    glycerin 152.53
    diglyme 989.58
    acrylic acid 346.74
    isopropyl myristate 131.72
    n-butyric acid 594.83
    acetyl acetate 499.98
    di(2-ethylhexyl) phthalate 128.28
    ethyl propionate 428.03
    nitromethane 1133.14
    1,2-diethoxyethane 714.12
    benzonitrile 551.89
    trioctyl phosphate 80.67
    1-bromopropane 527.63
    gamma-valerolactone 698.74
    n-decanol 98.58
    triethyl phosphate 167.08
    4-methyl-2-pentanol 164.3
    propionitrile 591.63
    vinylene carbonate 511.44
    1,1,2-trichlorotrifluoroethane 578.99
    DMS 336.56
    cumene 157.46
    2-octanol 96.06
    2-hexanone 462.55
    octyl acetate 163.38
    limonene 143.38
    1,2-dimethoxyethane 1023.29
    ethyl orthosilicate 164.18
    tributyl phosphate 132.42
    diacetone alcohol 346.01
    N,N-dimethylaniline 334.49
    acrylonitrile 751.66
    aniline 382.97
    1,3-propanediol 305.69
    bromobenzene 575.32
    dibromomethane 1199.64
    1,1,2,2-tetrachloroethane 1476.2
    2-methyl-cyclohexyl acetate 259.71
    tetrabutyl urea 155.23
    diisobutyl methanol 114.66
    2-phenylethanol 310.68
    styrene 386.58
    dioctyl adipate 206.56
    dimethyl sulfate 273.03
    ethyl butyrate 421.47
    methyl lactate 160.04
    butyl lactate 185.95
    diethyl carbonate 323.31
    propanediol butyl ether 265.64
    triethyl orthoformate 254.44
    p-tert-butyltoluene 100.46
    methyl 4-tert-butylbenzoate 272.42
    morpholine 939.32
    tert-butylamine 319.67
    n-dodecanol 76.0
    dimethoxymethane 476.57
    ethylene carbonate 407.57
    cyrene 251.7
    2-ethoxyethyl acetate 392.09
    2-ethylhexyl acetate 384.93
    1,2,4-trichlorobenzene 507.52
    4-methylpyridine 879.52
    dibutyl ether 256.13
    2,6-dimethyl-4-heptanol 114.66
    DEF 571.0
    dimethyl isosorbide 473.43
    tetrachloroethylene 932.28
    eugenol 313.77
    triacetin 352.8
    span 80 256.85
    1,4-butanediol 155.98
    1,1-dichloroethane 919.8
    2-methyl-1-pentanol 370.69
    methyl formate 301.5
    2-methyl-1-butanol 338.73
    n-decane 22.29
    butyronitrile 564.75
    3,7-dimethyl-1-octanol 176.16
    1-chlorooctane 116.95
    1-chlorotetradecane 46.64
    n-nonane 19.31
    undecane 16.81
    tert-butylcyclohexane 45.4
    cyclooctane 15.66
    cyclopentanol 187.02
    tetrahydropyran 645.62
    tert-amyl methyl ether 350.13
    2,5,8-trioxanonane 645.48
    1-hexene 238.69
    2-isopropoxyethanol 394.21
    2,2,2-trifluoroethanol 205.33
    methyl butyrate 599.18

    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
Tanacetum parthenium (The Netherlands) Tanacetum parthenium (L.) Schultz-Bip. (Feverfew), Asteraceae (Compositae) 0.01%
Nepeta argolica (Greece) 1a chemotype 1 Nepeta argolica Bory & Chaub. ssp. argolica, fam. Lamiaceae (Labiatae) 0.24%