Geranyl 2-methylbutyrate

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  • Identifiers

    CAS number
    68705-63-5

    Molecular formula
    C15H26O2

    SMILES
    CCC(C)C(=O)OC/C=C(\C)/CCC=C(C)C

    Retention indicies (RI)

    • Carbowax: 1895.0

  • Odor profile

    Fruity 89.84%
    Rose 71.76%
    Floral 67.44%
    Sweet 62.82%
    Apple 58.18%
    Tropical 53.29%
    Green 50.95%
    Citrus 49.17%
    Waxy 47.62%
    Pear 44.45%

    Scent© AI

  • Properties

    XLogP3-AA
    4.9

    Molecular weight
    238.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    274°C

    Flash point est.
    122.11 ˚C

    Solubility expt.

    • Practically insoluble to insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • Geranyl 2-methylbutyrate
    • 68705-63-5
    • [(2E)-3,7-dimethylocta-2,6-dienyl] 2-methylbutanoate
    • Geranyl methylethylacetate
    • UNII-MRW7QH0M9I
    • MRW7QH0M9I
    • Butanoic acid, 2-methyl-, (2E)-3,7-dimethyl-2,6-octadien-1-yl ester
    • EINECS 272-100-4
    • Butanoic acid, 2-methyl-, 3,7-dimethyl-2,6-octadienyl ester, (E)-
    • GERANYLMETHYLETHYLACETATE
    • FEMA NO. 4122
    • GERANYL 2-METHYLBUTANOATE
    • DTXSID50887489
    • Butanoic acid, 2-methyl-, (2E)-3,7-dimethyl-2,6-octadienyl ester
    • GERANYL 2-METHYLBUTYRATE [FHFI]
    • GERANYL 2-METHYLBUTYRATE, (E)-
    • (+/-)-GERANYL 2-METHYLBUTYRATE
    • (2E)-3,7-DIMETHYLOCTA-2,6-DIEN-1-YL 2-METHYLBUTANOATE
    • GERANYL 2-METHYLBUTYRATE, (+/-)-
    • (E)-3,7-Dimethylocta-2,6-dienyl 2-methylbutyrate
    • Geranyl-2-methyl butyrate
    • ((2E)-3,7-dimethylocta-2,6-dienyl) 2-methylbutanoate
    • (Z)-3,7-Dimethylocta-2,6-dienyl 2-methylbutyrate
    • Geranyl 2-methylbutyric acid
    • SCHEMBL3504611
    • SCHEMBL6797007
    • DTXCID00910276
    • LMFA07010894
    • NS00091013
    • Q27284204
    • 272-100-4

  • Applications

    Geranyl 2-methylbutyrate (CAS 68705-63-5) is a geraniol ester with a soft fruity–citrus–floral odor, widely used as a fragrance ingredient in citrus colognes, neroli/orange, rose/geranium, and tropical fruit accords to add juiciness, round and extend top notes, and to impart sweet, green-herbal, apple/peach/apricot nuances across personal care (soaps, shampoos, lotions), home care (detergents, air care, candles), and flavor formulations where appropriate; its ester linkage can hydrolyze to release geraniol, making it useful as a pro-fragrance or diffusion modulator in emulsions/microcapsules, as a blending intermediate and background-odor masker, with use subject to applicable safety guidance and regulatory requirements in each market.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1800.87
    methanol 1189.19
    isopropanol 1566.23
    water 0.16
    ethyl acetate 2654.45
    n-propanol 1343.87
    acetone 1556.45
    n-butanol 1667.62
    acetonitrile 1310.06
    DMF 849.49
    toluene 1199.83
    isobutanol 1181.54
    1,4-dioxane 3083.05
    methyl acetate 1333.43
    THF 3140.23
    2-butanone 1847.84
    n-pentanol 1256.33
    sec-butanol 1883.78
    n-hexane 688.09
    ethylene glycol 39.67
    NMP 933.57
    cyclohexane 958.32
    DMSO 707.59
    n-butyl acetate 1897.47
    n-octanol 564.68
    chloroform 4084.77
    n-propyl acetate 1469.67
    acetic acid 846.38
    dichloromethane 3405.75
    cyclohexanone 2369.47
    propylene glycol 154.94
    isopropyl acetate 1669.78
    DMAc 1170.57
    2-ethoxyethanol 1104.86
    isopentanol 1705.38
    n-heptane 217.09
    ethyl formate 750.67
    1,2-dichloroethane 2237.14
    n-hexanol 1397.34
    2-methoxyethanol 1215.81
    isobutyl acetate 948.06
    tetrachloromethane 683.1
    n-pentyl acetate 1042.22
    transcutol 4498.12
    n-heptanol 576.2
    ethylbenzene 798.23
    MIBK 1124.73
    2-propoxyethanol 1388.82
    tert-butanol 2307.5
    MTBE 3619.39
    2-butoxyethanol 846.57
    propionic acid 644.69
    o-xylene 728.37
    formic acid 136.3
    diethyl ether 3442.25
    m-xylene 786.09
    p-xylene 1089.89
    chlorobenzene 1251.88
    dimethyl carbonate 234.19
    n-octane 88.59
    formamide 247.54
    cyclopentanone 1570.77
    2-pentanone 1729.78
    anisole 1118.2
    cyclopentyl methyl ether 1785.87
    gamma-butyrolactone 1312.77
    1-methoxy-2-propanol 1069.52
    pyridine 2001.5
    3-pentanone 1192.07
    furfural 1116.62
    n-dodecane 55.4
    diethylene glycol 485.8
    diisopropyl ether 1010.54
    tert-amyl alcohol 2328.12
    acetylacetone 1309.66
    n-hexadecane 65.16
    acetophenone 886.73
    methyl propionate 1056.73
    isopentyl acetate 1770.91
    trichloroethylene 3721.43
    n-nonanol 521.11
    cyclohexanol 1609.64
    benzyl alcohol 717.25
    2-ethylhexanol 915.95
    isooctanol 537.15
    dipropyl ether 1152.37
    1,2-dichlorobenzene 1075.07
    ethyl lactate 351.97
    propylene carbonate 929.65
    n-methylformamide 379.07
    2-pentanol 1527.96
    n-pentane 404.18
    1-propoxy-2-propanol 1191.89
    1-methoxy-2-propyl acetate 1248.5
    2-(2-methoxypropoxy) propanol 866.24
    mesitylene 517.17
    ε-caprolactone 1993.67
    p-cymene 391.94
    epichlorohydrin 2283.45
    1,1,1-trichloroethane 2645.55
    2-aminoethanol 226.21
    morpholine-4-carbaldehyde 1283.38
    sulfolane 1100.77
    2,2,4-trimethylpentane 240.59
    2-methyltetrahydrofuran 3314.05
    n-hexyl acetate 1342.58
    isooctane 174.21
    2-(2-butoxyethoxy)ethanol 1241.07
    sec-butyl acetate 1293.94
    tert-butyl acetate 1551.39
    decalin 377.89
    glycerin 179.16
    diglyme 2069.57
    acrylic acid 347.55
    isopropyl myristate 463.05
    n-butyric acid 1598.84
    acetyl acetate 1098.44
    di(2-ethylhexyl) phthalate 369.32
    ethyl propionate 1230.09
    nitromethane 1114.61
    1,2-diethoxyethane 2183.96
    benzonitrile 941.84
    trioctyl phosphate 251.09
    1-bromopropane 1949.22
    gamma-valerolactone 1943.39
    n-decanol 364.73
    triethyl phosphate 407.06
    4-methyl-2-pentanol 826.93
    propionitrile 1075.82
    vinylene carbonate 755.27
    1,1,2-trichlorotrifluoroethane 970.48
    DMS 668.64
    cumene 506.51
    2-octanol 487.36
    2-hexanone 1403.74
    octyl acetate 569.63
    limonene 685.25
    1,2-dimethoxyethane 2315.11
    ethyl orthosilicate 456.76
    tributyl phosphate 357.46
    diacetone alcohol 1122.24
    N,N-dimethylaniline 694.98
    acrylonitrile 767.14
    aniline 960.49
    1,3-propanediol 592.25
    bromobenzene 1453.05
    dibromomethane 2456.01
    1,1,2,2-tetrachloroethane 3198.79
    2-methyl-cyclohexyl acetate 886.96
    tetrabutyl urea 393.35
    diisobutyl methanol 476.9
    2-phenylethanol 806.45
    styrene 933.67
    dioctyl adipate 603.2
    dimethyl sulfate 288.41
    ethyl butyrate 1255.08
    methyl lactate 256.38
    butyl lactate 548.89
    diethyl carbonate 699.58
    propanediol butyl ether 606.34
    triethyl orthoformate 770.43
    p-tert-butyltoluene 374.57
    methyl 4-tert-butylbenzoate 681.5
    morpholine 3576.93
    tert-butylamine 1816.0
    n-dodecanol 262.46
    dimethoxymethane 892.86
    ethylene carbonate 741.35
    cyrene 541.61
    2-ethoxyethyl acetate 1185.13
    2-ethylhexyl acetate 1375.79
    1,2,4-trichlorobenzene 1200.32
    4-methylpyridine 2222.39
    dibutyl ether 1130.56
    2,6-dimethyl-4-heptanol 476.9
    DEF 1638.42
    dimethyl isosorbide 1271.25
    tetrachloroethylene 1942.72
    eugenol 621.34
    triacetin 874.77
    span 80 802.68
    1,4-butanediol 220.96
    1,1-dichloroethane 2678.49
    2-methyl-1-pentanol 1362.1
    methyl formate 251.51
    2-methyl-1-butanol 1576.11
    n-decane 114.81
    butyronitrile 1670.97
    3,7-dimethyl-1-octanol 674.75
    1-chlorooctane 505.49
    1-chlorotetradecane 173.46
    n-nonane 113.99
    undecane 75.43
    tert-butylcyclohexane 332.36
    cyclooctane 244.64
    cyclopentanol 972.25
    tetrahydropyran 4207.06
    tert-amyl methyl ether 2154.49
    2,5,8-trioxanonane 1223.54
    1-hexene 1669.42
    2-isopropoxyethanol 934.15
    2,2,2-trifluoroethanol 183.46
    methyl butyrate 1585.8

    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 0.01%
Geranium, Bourbon 1 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.01%
Geranium (China) 1 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.01%
Geranium (Egypt) 1 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.01%
Geranium (Morocco) 1 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.01%
Myrtle leaf (Morocco) 1 8008-46-6 Myrtus communis L., fam. Myrtaceae 0.9%
Artemisia macrocephala (China) Artemisia macrocephala Jacq. ex Bess., fam. Asteraceae (Compositae) 4.73%
Artemisia argentea (Madeira) Artemisia argentea L'Her., fam. Asteraceae (Compositae) 1.3%
Thymus migricus (Turkey) Thymus migricus Klokov et Des.-Shost., fam. Lamiaceae (Labiatae) 0.03%
Thymus fedtschenkoi var. handelii (Turkey) Thymus fedtschenkoi var. handelii, fam. Lamiaceae (Labiatae) 0.1%