Isoamyl valerate

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    2050-09-1

    Molecular formula
    C10H20O2

    SMILES
    CCCCC(=O)OCCC(C)C

    Safety labels

    Flammable
    Flammable

    Environmental Hazard
    Environmental

    Retention indicies (RI)

    • DB5: 1136.0

  • Odor profile

    Fruity 97.33%
    Apple 77.18%
    Green 61.86%
    Pineapple 58.74%
    Banana 55.16%
    Winey 54.11%
    Sweet 48.38%
    Herbal 43.85%
    Ripe 43.01%
    Oily 41.26%

    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.
    70.95 ˚C

  • Synonyms

    • Isoamyl valerate
    • 2050-09-1
    • 3-Methylbutyl pentanoate
    • Isopentyl valerate
    • Pentanoic acid, 3-methylbutyl ester
    • Isopentyl pentanoate
    • 3-Methylbutyl valerate
    • Valeric acid, 3-methylbutyl ester
    • iso-Amyl N-valerate
    • 7HQJ459H95
    • NSC-7006
    • ISOAMYL N-VALERATE
    • DTXSID70174484
    • ISOPENTYL ALCOHOL, VALERATE
    • NSC 7006
    • EINECS 218-081-8
    • VALERIC ACID, ISOPENTYL ESTER
    • 3-METHYL-1-BUTYL N-VALERATE
    • AI3-24391
    • Valeric Acid Isoamyl Ester
    • Irishmoss
    • MFCD00085198
    • Isopentyl pentanoate #
    • starbld0016507
    • Isopentyl valerate, 8CI
    • Valeric Acid Isopentyl Ester
    • UNII-7HQJ459H95
    • 3-Methylbutyl pentanoate, 9CI
    • SCHEMBL1305063
    • (3-methyl-1-butyl) pentanoate
    • DTXCID1096975
    • NSC7006
    • CHEBI:179541
    • LMFA07010762
    • AKOS028108467
    • DB-252535
    • I0897
    • NS00012667
    • D91212
    • Q27268318
    • 218-081-8

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3680.95
    methanol 3603.65
    isopropanol 3168.32
    water 0.88
    ethyl acetate 1810.12
    n-propanol 2371.3
    acetone 2901.89
    n-butanol 2331.19
    acetonitrile 1647.45
    DMF 2265.15
    toluene 674.0
    isobutanol 2009.02
    1,4-dioxane 2977.18
    methyl acetate 1358.61
    THF 3906.96
    2-butanone 1776.44
    n-pentanol 1539.78
    sec-butanol 2332.92
    n-hexane 575.31
    ethylene glycol 328.41
    NMP 1781.45
    cyclohexane 917.14
    DMSO 2127.64
    n-butyl acetate 2076.28
    n-octanol 839.71
    chloroform 5072.79
    n-propyl acetate 1151.17
    acetic acid 2671.04
    dichloromethane 3437.72
    cyclohexanone 3340.5
    propylene glycol 748.93
    isopropyl acetate 1186.37
    DMAc 1440.71
    2-ethoxyethanol 1224.53
    isopentanol 2021.08
    n-heptane 277.98
    ethyl formate 1161.08
    1,2-dichloroethane 2168.74
    n-hexanol 2021.96
    2-methoxyethanol 2172.61
    isobutyl acetate 789.32
    tetrachloromethane 665.4
    n-pentyl acetate 969.58
    transcutol 4070.26
    n-heptanol 761.67
    ethylbenzene 471.44
    MIBK 954.95
    2-propoxyethanol 1912.76
    tert-butanol 3344.2
    MTBE 2067.48
    2-butoxyethanol 1068.02
    propionic acid 1536.0
    o-xylene 453.93
    formic acid 559.39
    diethyl ether 1755.0
    m-xylene 477.91
    p-xylene 711.41
    chlorobenzene 1269.67
    dimethyl carbonate 285.35
    n-octane 107.85
    formamide 621.26
    cyclopentanone 2602.97
    2-pentanone 1619.73
    anisole 838.31
    cyclopentyl methyl ether 1556.79
    gamma-butyrolactone 2510.45
    1-methoxy-2-propanol 1703.74
    pyridine 2391.73
    3-pentanone 876.53
    furfural 2038.77
    n-dodecane 80.29
    diethylene glycol 1034.98
    diisopropyl ether 563.2
    tert-amyl alcohol 2461.76
    acetylacetone 1462.12
    n-hexadecane 93.07
    acetophenone 807.21
    methyl propionate 908.83
    isopentyl acetate 1771.87
    trichloroethylene 4085.29
    n-nonanol 692.79
    cyclohexanol 2355.93
    benzyl alcohol 815.23
    2-ethylhexanol 1156.06
    isooctanol 625.83
    dipropyl ether 1046.08
    1,2-dichlorobenzene 1078.07
    ethyl lactate 436.72
    propylene carbonate 1547.94
    n-methylformamide 1056.45
    2-pentanol 1691.14
    n-pentane 361.68
    1-propoxy-2-propanol 1592.64
    1-methoxy-2-propyl acetate 1174.32
    2-(2-methoxypropoxy) propanol 943.02
    mesitylene 346.3
    ε-caprolactone 2447.69
    p-cymene 369.47
    epichlorohydrin 2711.48
    1,1,1-trichloroethane 2400.7
    2-aminoethanol 864.28
    morpholine-4-carbaldehyde 1827.48
    sulfolane 2348.78
    2,2,4-trimethylpentane 168.7
    2-methyltetrahydrofuran 2975.47
    n-hexyl acetate 1448.17
    isooctane 138.25
    2-(2-butoxyethoxy)ethanol 1361.91
    sec-butyl acetate 797.02
    tert-butyl acetate 1127.66
    decalin 288.9
    glycerin 719.21
    diglyme 2147.63
    acrylic acid 1099.41
    isopropyl myristate 513.81
    n-butyric acid 3123.32
    acetyl acetate 1002.14
    di(2-ethylhexyl) phthalate 454.67
    ethyl propionate 805.29
    nitromethane 2407.51
    1,2-diethoxyethane 1443.86
    benzonitrile 1317.73
    trioctyl phosphate 341.37
    1-bromopropane 1576.22
    gamma-valerolactone 2982.88
    n-decanol 489.1
    triethyl phosphate 387.5
    4-methyl-2-pentanol 885.13
    propionitrile 1383.26
    vinylene carbonate 1345.1
    1,1,2-trichlorotrifluoroethane 1873.68
    DMS 685.73
    cumene 355.03
    2-octanol 599.38
    2-hexanone 1255.34
    octyl acetate 637.27
    limonene 678.06
    1,2-dimethoxyethane 2303.74
    ethyl orthosilicate 391.16
    tributyl phosphate 450.56
    diacetone alcohol 1219.67
    N,N-dimethylaniline 561.27
    acrylonitrile 1368.55
    aniline 1003.11
    1,3-propanediol 1491.24
    bromobenzene 1327.7
    dibromomethane 2592.62
    1,1,2,2-tetrachloroethane 3684.26
    2-methyl-cyclohexyl acetate 841.77
    tetrabutyl urea 515.16
    diisobutyl methanol 610.12
    2-phenylethanol 957.47
    styrene 639.65
    dioctyl adipate 712.5
    dimethyl sulfate 419.61
    ethyl butyrate 1040.84
    methyl lactate 508.73
    butyl lactate 764.16
    diethyl carbonate 641.6
    propanediol butyl ether 1128.38
    triethyl orthoformate 663.27
    p-tert-butyltoluene 366.69
    methyl 4-tert-butylbenzoate 708.44
    morpholine 3801.04
    tert-butylamine 2085.91
    n-dodecanol 359.44
    dimethoxymethane 1039.03
    ethylene carbonate 1247.58
    cyrene 650.22
    2-ethoxyethyl acetate 969.11
    2-ethylhexyl acetate 1261.62
    1,2,4-trichlorobenzene 1218.76
    4-methylpyridine 2268.37
    dibutyl ether 1041.47
    2,6-dimethyl-4-heptanol 610.12
    DEF 1512.99
    dimethyl isosorbide 1300.99
    tetrachloroethylene 2289.86
    eugenol 738.5
    triacetin 909.59
    span 80 1104.43
    1,4-butanediol 581.38
    1,1-dichloroethane 2708.73
    2-methyl-1-pentanol 1313.59
    methyl formate 723.77
    2-methyl-1-butanol 1702.75
    n-decane 147.81
    butyronitrile 2094.19
    3,7-dimethyl-1-octanol 858.87
    1-chlorooctane 536.79
    1-chlorotetradecane 204.8
    n-nonane 155.86
    undecane 105.15
    tert-butylcyclohexane 259.84
    cyclooctane 208.38
    cyclopentanol 2102.04
    tetrahydropyran 3716.54
    tert-amyl methyl ether 1206.16
    2,5,8-trioxanonane 1376.74
    1-hexene 1422.38
    2-isopropoxyethanol 934.37
    2,2,2-trifluoroethanol 538.48
    methyl butyrate 1336.4

    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
Rose headspace 1 8007-01-0 Rosa damascena Mill., cv. Othello, fam. Rosaceae 0.1%
Rhus coriaria Rhus coriaria L., fam. Anarcadiaceae 0.01%
Pistacia lentiscus (Spain) 3 whole plant 90082-83-0 Pistacia lentiscus L., fam. Anacardiaceae 0.01%
Pentaceras australe leaf Pentaceras australe (F. Muell.) Benth., fam. Rutaceae 0.1%