3-Methylpentyl isovalerate

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    35852-41-6

    Molecular formula
    C11H22O2

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

  • Odor profile

    Fruity 95.15%
    Apple 71.36%
    Herbal 60.25%
    Green 51.33%
    Sweet 48.47%
    Banana 47.89%
    Winey 43.69%
    Pineapple 40.89%
    Pear 35.5%
    Oily 35.01%

    Scent© AI

  • Properties

    XLogP3-AA
    3.6

    Molecular weight
    186.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    212°C

    Flash point est.
    76.73 ˚C

  • Synonyms

    • 3-Methylpentyl isovalerate
    • 35852-41-6
    • 3-methylpentyl 3-methylbutanoate
    • EINECS 252-758-9
    • SCHEMBL3508684
    • DTXSID80957260
    • BCLOAPWHACMPQO-UHFFFAOYSA-N
    • AKOS006328117
    • DB-283149
    • NS00058927

  • Applications

    3‑Methylpentyl isovalerate (CAS 35852‑41‑6) is a fruity‑creamy, moderately volatile ester that finds interest across flavor and fragrance applications: it can serve as a top‑note material or modifier to add fresh, green‑fruity lift and to mask undesirable base notes in fine fragrances, personal‑care products, household cleaners and air‑care; in flavor creation, isovalerate esters are commonly used at very low levels to suggest tropical/apple‑pear nuances in beverages, confectionery and bakery when permitted, and to help suppress bitterness or powdery off‑notes in fortified foods; beyond sensorial uses it may function as a hydrophobic solvent or co‑solvent/coalescent for resins, inks, adhesives and controlled‑VOC coatings, as a synthetic intermediate for transesterification or for making related specialty esters, and as a reference material in analytical work (GC‑MS, flavor‑release and partition studies), with real‑world use contingent on hydrolytic stability, formulation compatibility, and compliance with applicable safety standards and regulations.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3240.82
    methanol 3010.86
    isopropanol 3211.06
    water 1.07
    ethyl acetate 2023.63
    n-propanol 2455.83
    acetone 3249.93
    n-butanol 2393.49
    acetonitrile 1933.26
    DMF 2143.92
    toluene 689.92
    isobutanol 2096.21
    1,4-dioxane 3170.9
    methyl acetate 1480.26
    THF 4542.12
    2-butanone 2105.51
    n-pentanol 1520.34
    sec-butanol 2608.68
    n-hexane 758.78
    ethylene glycol 323.94
    NMP 2214.4
    cyclohexane 1088.0
    DMSO 2232.45
    n-butyl acetate 2250.14
    n-octanol 906.51
    chloroform 5762.34
    n-propyl acetate 1264.47
    acetic acid 3142.97
    dichloromethane 3868.68
    cyclohexanone 3999.13
    propylene glycol 815.66
    isopropyl acetate 1336.35
    DMAc 1481.76
    2-ethoxyethanol 1213.18
    isopentanol 2122.04
    n-heptane 321.88
    ethyl formate 1151.86
    1,2-dichloroethane 2512.51
    n-hexanol 2134.02
    2-methoxyethanol 2192.5
    isobutyl acetate 879.58
    tetrachloromethane 856.83
    n-pentyl acetate 1077.28
    transcutol 4581.15
    n-heptanol 814.55
    ethylbenzene 514.8
    MIBK 1115.69
    2-propoxyethanol 2025.61
    tert-butanol 3792.13
    MTBE 2447.58
    2-butoxyethanol 1076.88
    propionic acid 1886.83
    o-xylene 524.13
    formic acid 605.93
    diethyl ether 1896.86
    m-xylene 564.71
    p-xylene 789.05
    chlorobenzene 1419.19
    dimethyl carbonate 332.84
    n-octane 119.72
    formamide 643.12
    cyclopentanone 3292.55
    2-pentanone 1758.43
    anisole 892.51
    cyclopentyl methyl ether 1947.07
    gamma-butyrolactone 3233.2
    1-methoxy-2-propanol 1834.49
    pyridine 2255.17
    3-pentanone 1161.34
    furfural 2284.93
    n-dodecane 84.81
    diethylene glycol 1062.06
    diisopropyl ether 697.27
    tert-amyl alcohol 2845.83
    acetylacetone 1630.41
    n-hexadecane 99.47
    acetophenone 861.7
    methyl propionate 1116.85
    isopentyl acetate 1934.68
    trichloroethylene 4740.89
    n-nonanol 763.51
    cyclohexanol 2727.94
    benzyl alcohol 794.27
    2-ethylhexanol 1219.86
    isooctanol 675.18
    dipropyl ether 1190.16
    1,2-dichlorobenzene 1274.88
    ethyl lactate 496.42
    propylene carbonate 1886.67
    n-methylformamide 1073.89
    2-pentanol 1921.07
    n-pentane 436.47
    1-propoxy-2-propanol 1775.57
    1-methoxy-2-propyl acetate 1407.61
    2-(2-methoxypropoxy) propanol 1034.96
    mesitylene 434.45
    ε-caprolactone 2908.88
    p-cymene 413.37
    epichlorohydrin 3098.12
    1,1,1-trichloroethane 3314.07
    2-aminoethanol 849.01
    morpholine-4-carbaldehyde 1978.52
    sulfolane 3129.05
    2,2,4-trimethylpentane 224.57
    2-methyltetrahydrofuran 3519.14
    n-hexyl acetate 1726.93
    isooctane 182.21
    2-(2-butoxyethoxy)ethanol 1504.45
    sec-butyl acetate 917.82
    tert-butyl acetate 1454.43
    decalin 347.21
    glycerin 783.92
    diglyme 2243.39
    acrylic acid 1302.34
    isopropyl myristate 596.52
    n-butyric acid 3340.76
    acetyl acetate 1192.19
    di(2-ethylhexyl) phthalate 505.76
    ethyl propionate 943.5
    nitromethane 2873.66
    1,2-diethoxyethane 1521.66
    benzonitrile 1277.62
    trioctyl phosphate 393.46
    1-bromopropane 1835.25
    gamma-valerolactone 3545.64
    n-decanol 539.58
    triethyl phosphate 434.31
    4-methyl-2-pentanol 973.4
    propionitrile 1529.78
    vinylene carbonate 1522.68
    1,1,2-trichlorotrifluoroethane 2202.29
    DMS 803.91
    cumene 415.65
    2-octanol 653.13
    2-hexanone 1431.88
    octyl acetate 757.19
    limonene 776.51
    1,2-dimethoxyethane 2220.69
    ethyl orthosilicate 441.63
    tributyl phosphate 515.96
    diacetone alcohol 1503.16
    N,N-dimethylaniline 596.2
    acrylonitrile 1371.8
    aniline 1038.16
    1,3-propanediol 1541.97
    bromobenzene 1504.28
    dibromomethane 3064.15
    1,1,2,2-tetrachloroethane 4588.29
    2-methyl-cyclohexyl acetate 975.65
    tetrabutyl urea 607.96
    diisobutyl methanol 695.88
    2-phenylethanol 1002.48
    styrene 623.7
    dioctyl adipate 762.74
    dimethyl sulfate 544.59
    ethyl butyrate 1165.54
    methyl lactate 593.04
    butyl lactate 874.51
    diethyl carbonate 700.41
    propanediol butyl ether 1224.15
    triethyl orthoformate 741.37
    p-tert-butyltoluene 411.05
    methyl 4-tert-butylbenzoate 835.79
    morpholine 3999.5
    tert-butylamine 2369.89
    n-dodecanol 401.93
    dimethoxymethane 1082.35
    ethylene carbonate 1444.22
    cyrene 746.65
    2-ethoxyethyl acetate 1087.61
    2-ethylhexyl acetate 1404.8
    1,2,4-trichlorobenzene 1520.92
    4-methylpyridine 2120.13
    dibutyl ether 1219.47
    2,6-dimethyl-4-heptanol 695.88
    DEF 1618.26
    dimethyl isosorbide 1546.44
    tetrachloroethylene 2726.32
    eugenol 801.13
    triacetin 1069.7
    span 80 1211.69
    1,4-butanediol 537.58
    1,1-dichloroethane 3327.3
    2-methyl-1-pentanol 1352.82
    methyl formate 776.63
    2-methyl-1-butanol 1851.15
    n-decane 161.97
    butyronitrile 2127.87
    3,7-dimethyl-1-octanol 979.28
    1-chlorooctane 652.5
    1-chlorotetradecane 234.42
    n-nonane 172.28
    undecane 111.97
    tert-butylcyclohexane 321.15
    cyclooctane 258.78
    cyclopentanol 2522.47
    tetrahydropyran 4146.78
    tert-amyl methyl ether 1460.09
    2,5,8-trioxanonane 1446.38
    1-hexene 1604.89
    2-isopropoxyethanol 950.12
    2,2,2-trifluoroethanol 731.14
    methyl butyrate 1454.7

    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
Roman chamomile (India) 8015-92-7 Anthemis nobilis L., fam. Asteraceae (Compositae) 20.97%
Roman chamomile (Germany) 1a hydrodistillate 8015-92-7 Anthemis nobilis L., fam. Asteraceae (Compositae) 0.04%
Roman chamomile (Germany) 1b headspace 8015-92-7 Anthemis nobilis L., fam. Asteraceae (Compositae) 0.01%