Methyl petroselinate

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  • Identifiers

    CAS number
    2777-58-4

    Molecular formula
    C19H36O2

    SMILES
    CCCCCCCCCCC/C=C\CCCCC(=O)OC

    Safety labels

  • Odor profile

    Fragrance
    Fatty 78.54%
    Waxy 66.76%
    Oily 64.93%
    Fruity 35.09%
    Sweet 33.26%
    Creamy 29.31%
    Dairy 28.15%
    Buttery 22.99%
    Milky 22.31%
    Odorless 20.97%

     

    Flavor
    Waxy 44.2%
    Fatty 31.7%
    Faint 29.09%
    Oily 27.79%
    Mild 24.42%
    Slightly waxy 22.85%
    Bland 22.29%
    Delicate 21.44%
    Bay oil 20.9%
    Beer 20.68%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.6

    pKa est.
    7.26 (neutral)

    Molecular weight
    296.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    352°C

    Flash point

    • 158.87 ˚C est.

  • Synonyms

    • Methyl petroselinate
    • 2777-58-4
    • Petroselinic acid methyl ester
    • Methyl cis-6-octadecenoate
    • Methyl (Z)-octadec-6-enoate
    • 6-Octadecenoic acid, methyl ester, (Z)-
    • 6-Octadecenoic acid, methyl ester, (6Z)-
    • Methyl 6(Z)-Octadecenoate
    • 774W29LWKQ
    • EINECS 220-470-2
    • DTXSID701315075
    • PETROSELENIC ACID METHYL ESTER
    • PETROSELINIC ACID, METHYL ESTER
    • PETROSELINIC ACID METHYL ESTER [MI]
    • RefChem:818031
    • DTXCID901744989
    • PETROSELINICACIDMETHYLESTER
    • cis-6-Octadecenoic Acid Methyl Ester
    • UNII-774W29LWKQ
    • methyl (6Z)-octadec-6-enoate
    • MFCD00673443
    • (Z)-6-OCTADECENOIC ACID METHYL ESTER
    • Petroselinic Acid-Methyl Ester
    • orb2939580
    • orb3025341
    • SCHEMBL17137615
    • Methyl (6Z)-6-octadecenoate #
    • MSK1836
    • CAA77758
    • cis-6-Octadecenoic acid, methyl ester
    • HY-W127436
    • BS-43966
    • 6-Octadecenoic acid,methyl ester, (6Z)-
    • CS-0185668
    • M2306
    • NS00048465
    • Q27266547
    • 2777-58-4

  • Applications

    Methyl petroselinate (CAS 2777-58-4) is primarily used in perfumery and cosmetics as a fragrance ingredient and odor fixative, contributing a green, herbaceous note. It is also commonly employed as an intermediate in organic synthesis to prepare related esters and compounds. As a fatty ester, it can serve as a solvent or carrier component in industrial formulations such as coatings, inks, and cleaning products. Additionally, it may be evaluated for other fragrance-related commercial applications or used as a base for fragrance additive blends in the field of aroma chemicals.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 180.34
    methanol 140.12
    isopropanol 236.66
    water 0.01
    ethyl acetate 741.26
    n-propanol 228.98
    acetone 485.57
    n-butanol 290.03
    acetonitrile 166.73
    DMF 441.39
    toluene 241.27
    isobutanol 215.3
    1,4-dioxane 764.39
    methyl acetate 347.74
    THF 1483.14
    2-butanone 603.32
    n-pentanol 223.92
    sec-butanol 287.21
    n-hexane 99.68
    ethylene glycol 6.08
    NMP 650.07
    cyclohexane 407.33
    DMSO 639.09
    n-butyl acetate 679.34
    n-octanol 149.85
    chloroform 1293.66
    n-propyl acetate 787.56
    acetic acid 138.52
    dichloromethane 1405.27
    cyclohexanone 1416.58
    propylene glycol 27.19
    isopropyl acetate 644.35
    DMAc 710.54
    2-ethoxyethanol 374.21
    isopentanol 357.93
    n-heptane 79.25
    ethyl formate 237.34
    1,2-dichloroethane 1049.04
    n-hexanol 200.81
    2-methoxyethanol 350.46
    isobutyl acetate 475.39
    tetrachloromethane 291.22
    n-pentyl acetate 704.51
    transcutol 1824.92
    n-heptanol 145.22
    ethylbenzene 199.13
    MIBK 607.99
    2-propoxyethanol 374.01
    tert-butanol 419.69
    MTBE 725.27
    2-butoxyethanol 338.2
    propionic acid 147.58
    o-xylene 206.76
    formic acid 18.38
    diethyl ether 725.45
    m-xylene 198.56
    p-xylene 264.46
    chlorobenzene 368.14
    dimethyl carbonate 89.6
    n-octane 33.36
    formamide 43.06
    cyclopentanone 1089.08
    2-pentanone 755.93
    anisole 391.57
    cyclopentyl methyl ether 883.04
    gamma-butyrolactone 818.03
    1-methoxy-2-propanol 410.31
    pyridine 635.38
    3-pentanone 493.71
    furfural 567.34
    n-dodecane 17.43
    diethylene glycol 111.65
    diisopropyl ether 258.89
    tert-amyl alcohol 421.18
    acetylacetone 680.44
    n-hexadecane 21.67
    acetophenone 414.9
    methyl propionate 385.18
    isopentyl acetate 637.16
    trichloroethylene 1430.07
    n-nonanol 150.64
    cyclohexanol 475.13
    benzyl alcohol 216.23
    2-ethylhexanol 216.18
    isooctanol 168.5
    dipropyl ether 542.42
    1,2-dichlorobenzene 421.01
    ethyl lactate 180.54
    propylene carbonate 460.38
    n-methylformamide 129.05
    2-pentanol 272.32
    n-pentane 64.72
    1-propoxy-2-propanol 410.37
    1-methoxy-2-propyl acetate 540.49
    2-(2-methoxypropoxy) propanol 318.77
    mesitylene 162.19
    ε-caprolactone 1072.02
    p-cymene 136.4
    epichlorohydrin 1177.18
    1,1,1-trichloroethane 1054.16
    2-aminoethanol 36.18
    morpholine-4-carbaldehyde 641.53
    sulfolane 1078.78
    2,2,4-trimethylpentane 51.23
    2-methyltetrahydrofuran 1270.53
    n-hexyl acetate 647.93
    isooctane 35.68
    2-(2-butoxyethoxy)ethanol 475.76
    sec-butyl acetate 588.17
    tert-butyl acetate 802.21
    decalin 113.29
    glycerin 39.62
    diglyme 1099.39
    acrylic acid 80.02
    isopropyl myristate 210.65
    n-butyric acid 483.53
    acetyl acetate 340.45
    di(2-ethylhexyl) phthalate 144.34
    ethyl propionate 610.97
    nitromethane 355.93
    1,2-diethoxyethane 880.64
    benzonitrile 296.38
    trioctyl phosphate 109.38
    1-bromopropane 742.35
    gamma-valerolactone 1289.3
    n-decanol 96.93
    triethyl phosphate 239.55
    4-methyl-2-pentanol 191.55
    propionitrile 242.3
    vinylene carbonate 324.19
    1,1,2-trichlorotrifluoroethane 576.31
    DMS 274.18
    cumene 141.42
    2-octanol 142.59
    2-hexanone 670.36
    octyl acetate 246.37
    limonene 284.01
    1,2-dimethoxyethane 1016.0
    ethyl orthosilicate 256.36
    tributyl phosphate 154.98
    diacetone alcohol 566.85
    N,N-dimethylaniline 266.73
    acrylonitrile 187.47
    aniline 220.82
    1,3-propanediol 104.53
    bromobenzene 459.3
    dibromomethane 977.07
    1,1,2,2-tetrachloroethane 1478.65
    2-methyl-cyclohexyl acetate 458.26
    tetrabutyl urea 234.68
    diisobutyl methanol 168.19
    2-phenylethanol 201.45
    styrene 235.1
    dioctyl adipate 325.17
    dimethyl sulfate 184.28
    ethyl butyrate 631.5
    methyl lactate 109.55
    butyl lactate 335.4
    diethyl carbonate 296.89
    propanediol butyl ether 248.39
    triethyl orthoformate 437.5
    p-tert-butyltoluene 129.78
    methyl 4-tert-butylbenzoate 388.1
    morpholine 1129.38
    tert-butylamine 294.24
    n-dodecanol 69.93
    dimethoxymethane 419.32
    ethylene carbonate 334.25
    cyrene 294.46
    2-ethoxyethyl acetate 687.12
    2-ethylhexyl acetate 526.59
    1,2,4-trichlorobenzene 467.58
    4-methylpyridine 636.49
    dibutyl ether 545.01
    2,6-dimethyl-4-heptanol 168.19
    DEF 777.49
    dimethyl isosorbide 670.4
    tetrachloroethylene 893.99
    eugenol 295.58
    triacetin 547.22
    span 80 317.38
    1,4-butanediol 43.01
    1,1-dichloroethane 937.8
    2-methyl-1-pentanol 269.98
    methyl formate 83.89
    2-methyl-1-butanol 300.0
    n-decane 42.11
    butyronitrile 385.0
    3,7-dimethyl-1-octanol 191.97
    1-chlorooctane 201.98
    1-chlorotetradecane 58.98
    n-nonane 43.18
    undecane 24.89
    tert-butylcyclohexane 79.42
    cyclooctane 84.45
    cyclopentanol 377.43
    tetrahydropyran 1498.2
    tert-amyl methyl ether 568.37
    2,5,8-trioxanonane 610.03
    1-hexene 274.76
    2-isopropoxyethanol 345.27
    2,2,2-trifluoroethanol 46.65
    methyl butyrate 856.3

    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