Isoamyl 2-methylbutyrate

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    27625-35-0

    Molecular formula
    C10H20O2

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

    Safety labels

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 1098.0
    • Carbowax: 1273.0

  • Odor profile

    Fruity 96.7%
    Apple 77.68%
    Green 64.81%
    Sweet 57.09%
    Banana 54.32%
    Pineapple 54.3%
    Tropical 53.17%
    Herbal 46.72%
    Pear 45.48%
    Winey 45.03%

    Scent© AI

  • Properties

    XLogP3-AA
    3.2

    Molecular weight
    172.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point

    • 185.00 to 186.00 °C. @ 760.00 mm Hg

    Flash point est.
    66.76 ˚C

    Solubility expt.

    • soluble in ethanol and oil, insoluble in water

  • Synonyms

    • 27625-35-0
    • 3-Methylbutyl 2-methylbutanoate
    • Butanoic acid, 2-methyl-, 3-methylbutyl ester
    • Isopentyl 2-methylbutyrate
    • Isoamyl 2-methylbutyrate
    • 3-Methylbutyl 2-methylbutyrate
    • Isopentyl 2-methylbutanoate
    • Isoamyl 2-methylbutanoate
    • Isoamyl alpha-methylbutyrate
    • 3-Methylbutyl methylbutyrate
    • FEMA No. 3505
    • iso-Amyl 2-methyl butyrate
    • 7LGN25Y6EK
    • EINECS 248-581-1
    • 3-Methylbutyl 2-methylbutanoate (natural)
    • AI3-33629
    • 93803-99-7
    • ISOAMYL-2-METHYLBUTYRATE
    • 3-Methylbutyl-2-methyl-butyrate
    • DTXSID90865387
    • ISOPENTYL-2-METHYLBUTYRATE
    • (+/-)-ISOAMYL 2-METHYLBUTYRATE
    • ISOAMYL 2-METHYLBUTYRATE, (+/-)-
    • 3-METHYLBUTYL 2-METHYLBUTANOATE [FHFI]
    • Fema 3505
    • UNII-7LGN25Y6EK
    • EINECS 298-375-0
    • Fema3505
    • Isoamyl 2-methyl butanoate
    • SCHEMBL891188
    • DTXCID10813800
    • CHEBI:179544
    • LMFA07010757
    • MFCD00048645
    • AKOS024437763
    • AS-75501
    • Butanoic acid,2-methyl-,3-methylbutyl ester
    • NS00049527
    • 3-Methylbutyl 2-methylbutanoate, >=98%, FG
    • D97785
    • Q27268520
    • 3-Methylbutyl 2-methylbutanoate, natural, 70% 3-methylbutyl 2-methylbutanoate basis
    • 248-581-1

  • Applications

    Isoamyl 2-methylbutyrate (CAS 27625-35-0) is a strongly fruity ester widely used as a flavor and fragrance ingredient: it delivers ripe apple–pear–strawberry–pineapple nuances, boosts juiciness and freshness in carbonated drinks, juices, cocktails, confectionery, chewing gum, yogurt and baked goods; in perfumery and personal care it provides bright fruity top notes, rounds out tropical accords in body mists, shampoos, shower gels, soaps and household cleaners, and helps mask technical base odors; it is also used for fine-tuning natural fruit profiles, as a sensory/GC reference standard in aroma analysis, and as a blending material in nature-identical compositions; typically dosed at trace levels due to a low odor threshold, it is compatible with other fruity esters, lactones and aldehydes, is soluble in ethanol and perfumery oils but only sparingly in water, and requires attention to heat/oxidative stability and compliance with local food and cosmetic regulations.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7652.22
    methanol 7294.51
    isopropanol 7660.55
    water 3.82
    ethyl acetate 6169.61
    n-propanol 6103.57
    acetone 7971.6
    n-butanol 5899.28
    acetonitrile 6348.14
    DMF 4553.82
    toluene 1848.85
    isobutanol 5861.85
    1,4-dioxane 7263.71
    methyl acetate 4436.87
    THF 7992.33
    2-butanone 5708.09
    n-pentanol 3866.48
    sec-butanol 7238.66
    n-hexane 2048.68
    ethylene glycol 540.7
    NMP 4088.39
    cyclohexane 2803.05
    DMSO 3426.32
    n-butyl acetate 5587.63
    n-octanol 2230.05
    chloroform 13398.65
    n-propyl acetate 3802.92
    acetic acid 7946.64
    dichloromethane 9025.69
    cyclohexanone 8710.67
    propylene glycol 1204.94
    isopropyl acetate 3944.25
    DMAc 3380.61
    2-ethoxyethanol 3117.62
    isopentanol 5699.41
    n-heptane 742.48
    ethyl formate 3500.89
    1,2-dichloroethane 6003.61
    n-hexanol 4558.06
    2-methoxyethanol 4572.4
    isobutyl acetate 2276.22
    tetrachloromethane 2665.89
    n-pentyl acetate 2869.47
    transcutol 8555.16
    n-heptanol 1960.12
    ethylbenzene 1477.23
    MIBK 2818.47
    2-propoxyethanol 3835.53
    tert-butanol 8823.82
    MTBE 7905.25
    2-butoxyethanol 2497.75
    propionic acid 4357.91
    o-xylene 1376.21
    formic acid 1474.36
    diethyl ether 6249.08
    m-xylene 1309.74
    p-xylene 2375.93
    chlorobenzene 3589.46
    dimethyl carbonate 793.78
    n-octane 341.97
    formamide 1847.41
    cyclopentanone 6392.4
    2-pentanone 4781.26
    anisole 2195.27
    cyclopentyl methyl ether 3954.07
    gamma-butyrolactone 6507.39
    1-methoxy-2-propanol 3329.04
    pyridine 6250.79
    3-pentanone 3033.52
    furfural 4560.71
    n-dodecane 231.62
    diethylene glycol 1861.1
    diisopropyl ether 2090.69
    tert-amyl alcohol 8191.68
    acetylacetone 3822.07
    n-hexadecane 271.68
    acetophenone 2046.75
    methyl propionate 2904.81
    isopentyl acetate 4859.73
    trichloroethylene 11756.52
    n-nonanol 1835.14
    cyclohexanol 6120.73
    benzyl alcohol 1855.7
    2-ethylhexanol 2745.11
    isooctanol 1720.43
    dipropyl ether 2668.68
    1,2-dichlorobenzene 2884.83
    ethyl lactate 1003.64
    propylene carbonate 3781.29
    n-methylformamide 2719.62
    2-pentanol 5088.64
    n-pentane 1218.75
    1-propoxy-2-propanol 3314.46
    1-methoxy-2-propyl acetate 2602.99
    2-(2-methoxypropoxy) propanol 1785.62
    mesitylene 984.15
    ε-caprolactone 6951.27
    p-cymene 914.67
    epichlorohydrin 6721.55
    1,1,1-trichloroethane 8500.87
    2-aminoethanol 1720.3
    morpholine-4-carbaldehyde 3939.0
    sulfolane 5111.42
    2,2,4-trimethylpentane 653.69
    2-methyltetrahydrofuran 7912.88
    n-hexyl acetate 4082.99
    isooctane 493.19
    2-(2-butoxyethoxy)ethanol 2691.07
    sec-butyl acetate 2712.55
    tert-butyl acetate 3325.66
    decalin 929.69
    glycerin 1170.74
    diglyme 4450.85
    acrylic acid 3094.68
    isopropyl myristate 1269.77
    n-butyric acid 8121.08
    acetyl acetate 3192.67
    di(2-ethylhexyl) phthalate 925.82
    ethyl propionate 2600.58
    nitromethane 7690.07
    1,2-diethoxyethane 3893.35
    benzonitrile 3326.54
    trioctyl phosphate 736.37
    1-bromopropane 4682.95
    gamma-valerolactone 7246.94
    n-decanol 1250.55
    triethyl phosphate 859.39
    4-methyl-2-pentanol 2480.96
    propionitrile 4750.97
    vinylene carbonate 3347.38
    1,1,2-trichlorotrifluoroethane 4326.46
    DMS 1679.64
    cumene 1049.32
    2-octanol 1747.77
    2-hexanone 3879.14
    octyl acetate 1595.48
    limonene 1626.78
    1,2-dimethoxyethane 5734.32
    ethyl orthosilicate 941.72
    tributyl phosphate 1017.57
    diacetone alcohol 2903.89
    N,N-dimethylaniline 1372.59
    acrylonitrile 4110.08
    aniline 2509.4
    1,3-propanediol 3160.27
    bromobenzene 3827.14
    dibromomethane 7009.36
    1,1,2,2-tetrachloroethane 10475.05
    2-methyl-cyclohexyl acetate 1953.26
    tetrabutyl urea 1122.61
    diisobutyl methanol 1426.49
    2-phenylethanol 2040.05
    styrene 1777.05
    dioctyl adipate 1448.59
    dimethyl sulfate 1093.28
    ethyl butyrate 2848.82
    methyl lactate 1005.4
    butyl lactate 1770.36
    diethyl carbonate 1636.86
    propanediol butyl ether 2297.97
    triethyl orthoformate 1682.02
    p-tert-butyltoluene 896.22
    methyl 4-tert-butylbenzoate 1604.64
    morpholine 8757.7
    tert-butylamine 6380.54
    n-dodecanol 897.6
    dimethoxymethane 2297.43
    ethylene carbonate 3229.36
    cyrene 1271.13
    2-ethoxyethyl acetate 2567.88
    2-ethylhexyl acetate 3479.97
    1,2,4-trichlorobenzene 3234.25
    4-methylpyridine 6014.37
    dibutyl ether 3024.49
    2,6-dimethyl-4-heptanol 1426.49
    DEF 4322.31
    dimethyl isosorbide 2544.79
    tetrachloroethylene 6916.17
    eugenol 1513.42
    triacetin 2073.03
    span 80 2027.45
    1,4-butanediol 1259.71
    1,1-dichloroethane 8717.55
    2-methyl-1-pentanol 3928.63
    methyl formate 2060.52
    2-methyl-1-butanol 5420.77
    n-decane 455.23
    butyronitrile 6254.02
    3,7-dimethyl-1-octanol 2248.77
    1-chlorooctane 1629.14
    1-chlorotetradecane 546.57
    n-nonane 480.35
    undecane 309.95
    tert-butylcyclohexane 867.09
    cyclooctane 638.6
    cyclopentanol 4980.87
    tetrahydropyran 9581.08
    tert-amyl methyl ether 4562.79
    2,5,8-trioxanonane 2396.79
    1-hexene 4449.01
    2-isopropoxyethanol 2361.48
    2,2,2-trifluoroethanol 1806.67
    methyl butyrate 4279.11

    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
Shanqiu Anaphalis margaritacea (L.) Benth.et Hook.(Shanqiu),fam.Asteraceae (Comp.) 0.02%
Roman chamomile (India) 8015-92-7 Anthemis nobilis L., fam. Asteraceae (Compositae) 0.18%
Roman chamomile (Italy) 3 8015-92-7 Anthemis nobilis L., fam. Asteraceae (Compositae) 2.8%
Roman chamomile (Italy) 2 (headspace) 8015-92-7 Anthemis nobilis L., fam. Asteraceae (Compositae) 0.8%
Santolina chamaecyparisus (France) 2 84961-58-0 Santolina chamaecyparisus L., fam. Asteraceae (Compositae) 0.01%
Micromyrtus striata Micromyrtus striata J.W. Green (M. ciliata (Sm) Druce), fam. Myrtaceae 1.2%
Heteromorpha trifoliata Heteromorpha trifoliata (Wendl.) Eckl. & Zey., fam.Apiaceae (Umbelliferae) 0.05%
Genet headspace 2 8023-80-1 Spartium junceum L., fam. Leguminosae (Papilionaceae) 0.01%
Artemisia afra Willd. (Kenia) Artemisia afra Willd., fam. Asteraceae (Compositae) 2.0%
Olibanum, African (Oman) 8016-36-2 Boswellia frereana Birdwood, fam. Burseraceae 0.01%
Manuka (New Zealand) 1 Leptospermum scoparium J.R. et F. Forst., fam. Myrtaceae 0.05%
Hyptis crenata (Brazil) Hyptis crenata Pohl ex Benth, fam. Lamiaceae (Labiatae) 0.3%
Pistacia lentiscus (Italy) 1a CO2-extract 90082-83-0 Pistacia lentiscus L., fam. Anacardiaceae 0.9%
Pistacia lentiscus (Italy) 3a CO2 extract leaf 90082-83-0 Pistacia lentiscus L., fam. Anacardiaceae 0.9%
Semenovia tragioides (Iran) Semenovia tragioides (Boiss.) Manden., fam. Apiaceae (Umbelliferae) 1.2%
Pentaceras australe leaf Pentaceras australe (F. Muell.) Benth., fam. Rutaceae 0.1%
Peppermint (Bulgaria) 4b extracted 8006-90-4 Mentha piperita L. cultivar 'Kliment-63', fam. Lamiaceae (Labiatae) 0.1%
Peppermint (Bulgaria) 5a hydrodistilled 8006-90-4 Mentha piperita L. cultivar 'Zefir', fam. Lamiaceae (Labiatae) 0.1%
Peppermint (Bulgaria) 5b extracted 8006-90-4 Mentha piperita L. cultivar 'Zefir', fam. Lamiaceae (Labiatae) 0.1%