Citronellyl propionate

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  • Identifiers

    CAS number
    141-14-0

    Molecular formula
    C13H24O2

    SMILES
    CCC(=O)OCCC(C)CCC=C(C)C

    Retention indicies (RI)

    • DB5: 1444.0
    • Carbowax: 1705.0

  • Odor profile

    Floral 91.78%
    Rose 84.85%
    Fruity 81.38%
    Sweet 76.95%
    Green 71.19%
    Waxy 66.42%
    Citrus 65.61%
    Geranium 56.04%
    Fresh 50.97%
    Tropical 50.75%

    Scent© AI

  • Properties

    XLogP3-AA
    4.2

    Molecular weight
    212.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    247°C

    Flash point est.
    103.98 ˚C

    Solubility expt.

    • miscible with alcohol, most fixed oils; insoluble in water
    • 1 ml in 4 ml 80% alcohol gives clear soln (in ethanol)

  • Synonyms

    • Citronellyl propionate
    • 141-14-0
    • Citronellyl propanoate
    • 6-Octen-1-ol, 3,7-dimethyl-, 1-propanoate
    • 6-Octen-1-ol, 3,7-dimethyl-, propanoate
    • 3,7-dimethyloct-6-enyl propanoate
    • 6-Octen-1-ol, 3,7-dimethyl-, propionate
    • 3,7-Dimethyl-6-octen-1-yl propionate
    • FEMA No. 2316
    • Citronellyl propionate (natural)
    • 3,7-Dimethyl-6-octen-1-ol propanoate
    • 3,7-Dimethyl-6-octen-1-yl propanoate
    • (1)-3,7-Dimethyloct-6-enyl propionate
    • EINECS 205-461-3
    • EINECS 278-466-1
    • Propionic acid, ester with citronellol
    • 3,7-Dimethyloct-6-en-1-yl propionate
    • DTXSID8047187
    • Citronellyl propianoate
    • AI3-24358
    • Citronellyl n-proprionate
    • 87R1092U7J
    • 3,7-dimethyloct-6-en-1-yl propanoate
    • DTXCID6027187
    • Propionic acid, ester with citronellol (6CI)
    • CITRONELLYL PROPIONATE [FCC]
    • CITRONELLYL PROPIONATE [FHFI]
    • (+/-)-CITRONELLYL PROPIONATE
    • 6-Octen-1-ol, 3,7-dimethyl-, propionate (7CI,8CI)
    • (+)-3,7-Dimethyloct-6-enyl propionate
    • CITRONELLYL PROPIONATE, (+/-)-
    • 94086-40-5
    • UNII-87R1092U7J
    • SCHEMBL396918
    • CHEMBL3185956
    • FEMA 2316
    • CHEBI:171788
    • 3,7-Dimethyl-6-octenyl propionate
    • EINECS 301-827-2
    • Tox21_302679
    • LMFA07010820
    • Citronellyl propionate, sum of esters
    • 3,7-Dimethyl-6-octenyl propionate #
    • 3,7-Dimethyloct-6-en-1-ylpropionate
    • AKOS015910710
    • NCGC00256674-01
    • AS-76187
    • CAS-141-14-0
    • E410
    • 6-Octen-1-ol,3,7-dimethyl-,1-propanoate
    • Citronellyl propionate, >=95%, FCC, FG
    • DB-042554
    • NS00012118
    • E79168
    • Q27269839
    • 205-461-3

  • Applications

    Citronellyl propionate (CAS 141-14-0) is a fragrance ester with a sweet, rosy–citrus character and soft fruity facets, widely used in fine and functional perfumery to lift top notes, smooth citronella/rose themes, and add clean citrus–floral freshness; with medium volatility and greater substantivity than the acetate analogue, it serves as a modifier and mild fixative across perfumes, body care (creams, shampoos, shower gels), soaps, laundry detergents and softeners, surface cleaners, candles and air care, and malodor counteractant blends, blending well with citronellol, geraniol, linalool, citrus terpenes and aliphatic aldehydes in floral, citrus, muguet and green accords; typically dosed at low–to–moderate levels to freshen, round, and mask technical bases in “fresh/clean” concepts and to improve the sensory profile of citronella-based insect-repellent products, with use subject to IFRA Standards and applicable labeling and safety regulations for the target sector and region.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3808.83
    methanol 3197.67
    isopropanol 2942.31
    water 0.3
    ethyl acetate 2441.97
    n-propanol 2455.61
    acetone 2277.73
    n-butanol 2563.36
    acetonitrile 1714.18
    DMF 991.46
    toluene 971.35
    isobutanol 1743.86
    1,4-dioxane 3733.77
    methyl acetate 1384.14
    THF 3747.62
    2-butanone 1878.41
    n-pentanol 1890.57
    sec-butanol 2565.85
    n-hexane 689.18
    ethylene glycol 122.84
    NMP 861.19
    cyclohexane 846.75
    DMSO 1196.31
    n-butyl acetate 1848.31
    n-octanol 704.68
    chloroform 4147.17
    n-propyl acetate 1453.63
    acetic acid 1318.04
    dichloromethane 3282.24
    cyclohexanone 2378.77
    propylene glycol 380.85
    isopropyl acetate 1556.77
    DMAc 1011.74
    2-ethoxyethanol 1669.49
    isopentanol 2221.16
    n-heptane 235.35
    ethyl formate 974.87
    1,2-dichloroethane 1821.38
    n-hexanol 1949.85
    2-methoxyethanol 2021.9
    isobutyl acetate 877.87
    tetrachloromethane 636.35
    n-pentyl acetate 1027.94
    transcutol 4925.66
    n-heptanol 668.1
    ethylbenzene 595.9
    MIBK 1040.22
    2-propoxyethanol 1878.38
    tert-butanol 3307.14
    MTBE 3255.89
    2-butoxyethanol 1027.05
    propionic acid 893.12
    o-xylene 545.25
    formic acid 234.88
    diethyl ether 3335.34
    m-xylene 630.19
    p-xylene 791.93
    chlorobenzene 1010.23
    dimethyl carbonate 200.2
    n-octane 87.49
    formamide 337.35
    cyclopentanone 1559.56
    2-pentanone 1817.21
    anisole 950.09
    cyclopentyl methyl ether 1864.5
    gamma-butyrolactone 1378.59
    1-methoxy-2-propanol 1518.63
    pyridine 2080.84
    3-pentanone 988.91
    furfural 1218.76
    n-dodecane 55.31
    diethylene glycol 737.29
    diisopropyl ether 847.77
    tert-amyl alcohol 2629.06
    acetylacetone 1269.79
    n-hexadecane 64.83
    acetophenone 736.62
    methyl propionate 915.69
    isopentyl acetate 1634.77
    trichloroethylene 3013.83
    n-nonanol 607.21
    cyclohexanol 2065.88
    benzyl alcohol 796.42
    2-ethylhexanol 1044.02
    isooctanol 547.11
    dipropyl ether 1280.16
    1,2-dichlorobenzene 819.59
    ethyl lactate 391.43
    propylene carbonate 943.26
    n-methylformamide 531.05
    2-pentanol 1858.76
    n-pentane 409.76
    1-propoxy-2-propanol 1484.53
    1-methoxy-2-propyl acetate 1197.54
    2-(2-methoxypropoxy) propanol 879.0
    mesitylene 395.19
    ε-caprolactone 1942.62
    p-cymene 339.75
    epichlorohydrin 2249.52
    1,1,1-trichloroethane 2157.73
    2-aminoethanol 531.23
    morpholine-4-carbaldehyde 1416.24
    sulfolane 1136.78
    2,2,4-trimethylpentane 189.75
    2-methyltetrahydrofuran 3565.21
    n-hexyl acetate 1404.32
    isooctane 146.8
    2-(2-butoxyethoxy)ethanol 1312.91
    sec-butyl acetate 1099.32
    tert-butyl acetate 1386.94
    decalin 279.17
    glycerin 349.78
    diglyme 2170.11
    acrylic acid 490.82
    isopropyl myristate 430.91
    n-butyric acid 2130.68
    acetyl acetate 994.72
    di(2-ethylhexyl) phthalate 373.16
    ethyl propionate 1052.68
    nitromethane 1356.94
    1,2-diethoxyethane 2052.74
    benzonitrile 1038.74
    trioctyl phosphate 264.23
    1-bromopropane 1796.98
    gamma-valerolactone 2163.69
    n-decanol 412.17
    triethyl phosphate 356.76
    4-methyl-2-pentanol 909.55
    propionitrile 1354.0
    vinylene carbonate 797.48
    1,1,2-trichlorotrifluoroethane 1157.51
    DMS 590.83
    cumene 393.85
    2-octanol 538.27
    2-hexanone 1448.36
    octyl acetate 536.38
    limonene 610.39
    1,2-dimethoxyethane 2613.17
    ethyl orthosilicate 406.06
    tributyl phosphate 361.67
    diacetone alcohol 1141.45
    N,N-dimethylaniline 570.08
    acrylonitrile 990.58
    aniline 1075.06
    1,3-propanediol 1061.25
    bromobenzene 1126.53
    dibromomethane 2452.25
    1,1,2,2-tetrachloroethane 2722.43
    2-methyl-cyclohexyl acetate 784.05
    tetrabutyl urea 390.83
    diisobutyl methanol 509.44
    2-phenylethanol 850.72
    styrene 756.36
    dioctyl adipate 593.72
    dimethyl sulfate 249.18
    ethyl butyrate 1177.68
    methyl lactate 296.4
    butyl lactate 598.03
    diethyl carbonate 626.39
    propanediol butyl ether 846.39
    triethyl orthoformate 717.92
    p-tert-butyltoluene 326.75
    methyl 4-tert-butylbenzoate 611.36
    morpholine 4595.07
    tert-butylamine 2287.57
    n-dodecanol 293.76
    dimethoxymethane 985.89
    ethylene carbonate 755.56
    cyrene 590.44
    2-ethoxyethyl acetate 1130.54
    2-ethylhexyl acetate 1214.63
    1,2,4-trichlorobenzene 955.77
    4-methylpyridine 2203.49
    dibutyl ether 1154.58
    2,6-dimethyl-4-heptanol 509.44
    DEF 1418.11
    dimethyl isosorbide 1156.74
    tetrachloroethylene 1638.95
    eugenol 609.65
    triacetin 869.74
    span 80 869.34
    1,4-butanediol 435.59
    1,1-dichloroethane 2482.92
    2-methyl-1-pentanol 1616.6
    methyl formate 319.53
    2-methyl-1-butanol 1874.83
    n-decane 115.33
    butyronitrile 2135.39
    3,7-dimethyl-1-octanol 721.63
    1-chlorooctane 483.19
    1-chlorotetradecane 159.9
    n-nonane 122.13
    undecane 74.78
    tert-butylcyclohexane 264.19
    cyclooctane 200.9
    cyclopentanol 1418.19
    tetrahydropyran 4861.27
    tert-amyl methyl ether 1782.0
    2,5,8-trioxanonane 1271.7
    1-hexene 1845.32
    2-isopropoxyethanol 1230.75
    2,2,2-trifluoroethanol 227.84
    methyl butyrate 1488.02

    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
Geranium (Algeria) 1 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 2.62%
Geranium, Bourbon 1 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 1.74%
Geranium (China) 1 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 2.2%
Geranium (China, Yunnan) 1 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaciae 0.98%
Geranium (China, Yunnan) 2 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 1.69%
Geranium (China, Yunnan) 3 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.87%
Geranium (China, Yunnan) 4 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.87%
Geranium (Egypt) 1 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 2.1%
Geranium (Morocco) 1 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 2.49%
Lemon (USA-California) 84929-31-7 Citrus limon (L.) Burm. f., fam. Rutaceae 0.01%
Lemon (Italy-Sicily) 8 84929-31-7 Citrus limon (L.) Burm. f., fam. Rutaceae 0.01%
Etrog, peel Citrus medica L., cultivar ethrog Engl., fam. Rutaceae 0.01%
Geranium (China, Yunnan) 6 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.54%
Geranium (Rwanda) 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.39%
Rose (Egypt) 2 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.04%
Rose (Kazanlik) 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.1%
Geranium, Bourbon 6 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 1.74%
Geranium 2 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 2.37%
Lemon leaf (petitgrain) 2 84929-31-7 Citrus limon (L.) Burm. f., fam. Rutaceae 0.01%
Artemisia desertorum (China) Artemisia desertorum Spreng., fam. Asteraceae (Compositae) 0.33%
Citronella ceylon (Zimbabwe) Cymbopogon nardus (L.) Rendle, fam. Poaceae (Gramineae) 0.87%
Melissa romana Melissa romana Mill., fam. Lamiaceae (Labiatae) 0.32%
Geranium (India) 14a 8000-46-2 Pelargonium species, cultivar Bourbon, fam. Geraniaceae 0.1%
Geranium (India) 15a cv. Kunti 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, cv. Kunti, fam. Geraniaceae 0.1%
Geranium (India) 15b cv. Kunti variant 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, cv.Kunti variant, fam. Geraniace 0.1%
Swangi (Citrus hystrix) leaf (Malaysia) Citrus hystrix DC (Swangi), fam. Rutaceae 1.4%