2-Methylbutyl formate

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  • Identifiers

    CAS number
    35073-27-9

    Molecular formula
    C6H12O2

    SMILES
    CCC(C)COC=O

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fruity 96.02%
    Green 75.05%
    Ethereal 69.85%
    Apple 63.83%
    Sweet 49.39%
    Banana 49.37%
    Fresh 45.14%
    Winey 44.77%
    Rummy 41.42%
    Sharp 37.42%

    Scent© AI

  • Properties

    XLogP3-AA
    1.8

    Molecular weight
    116.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    123°C

    Flash point est.
    24.5 ˚C

  • Synonyms

    • 2-Methylbutyl formate
    • 35073-27-9
    • 1-Butanol, 2-methyl-, 1-formate
    • 1-Butanol, 2-methyl-, formate
    • F3Y2X3CLO3
    • EINECS 252-343-2
    • DTXSID30865745
    • 2-METHYL-1-BUTYL FORMATE
    • 2-METHYL-1-BUTANOL FORMATE
    • UNII-F3Y2X3CLO3
    • SCHEMBL27665
    • DTXCID30814117
    • Formic acid, 2-methylbutyl ester
    • NS00056226
    • Q27277593
    • 252-343-2

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 776.87
    methanol 752.89
    isopropanol 546.75
    water 1.57
    ethyl acetate 595.91
    n-propanol 530.99
    acetone 765.71
    n-butanol 484.81
    acetonitrile 486.53
    DMF 689.83
    toluene 93.58
    isobutanol 375.92
    1,4-dioxane 609.27
    methyl acetate 599.42
    THF 995.33
    2-butanone 573.0
    n-pentanol 286.85
    sec-butanol 447.62
    n-hexane 20.26
    ethylene glycol 181.28
    NMP 676.52
    cyclohexane 34.61
    DMSO 924.07
    n-butyl acetate 530.32
    n-octanol 142.35
    chloroform 1030.57
    n-propyl acetate 322.13
    acetic acid 1008.64
    dichloromethane 1062.22
    cyclohexanone 732.96
    propylene glycol 249.25
    isopropyl acetate 306.26
    DMAc 419.48
    2-ethoxyethanol 398.89
    isopentanol 397.47
    n-heptane 20.96
    ethyl formate 431.62
    1,2-dichloroethane 642.54
    n-hexanol 401.85
    2-methoxyethanol 799.04
    isobutyl acetate 184.11
    tetrachloromethane 153.24
    n-pentyl acetate 225.82
    transcutol 1440.65
    n-heptanol 143.5
    ethylbenzene 71.4
    MIBK 239.02
    2-propoxyethanol 618.64
    tert-butanol 625.25
    MTBE 347.8
    2-butoxyethanol 293.64
    propionic acid 656.55
    o-xylene 86.59
    formic acid 308.28
    diethyl ether 267.78
    m-xylene 87.65
    p-xylene 102.15
    chlorobenzene 265.36
    dimethyl carbonate 132.92
    n-octane 8.86
    formamide 365.64
    cyclopentanone 927.35
    2-pentanone 443.18
    anisole 206.81
    cyclopentyl methyl ether 332.46
    gamma-butyrolactone 1180.8
    1-methoxy-2-propanol 575.38
    pyridine 520.51
    3-pentanone 248.49
    furfural 856.6
    n-dodecane 8.94
    diethylene glycol 466.84
    diisopropyl ether 76.26
    tert-amyl alcohol 485.71
    acetylacetone 525.57
    n-hexadecane 10.24
    acetophenone 227.62
    methyl propionate 378.96
    isopentyl acetate 447.64
    trichloroethylene 1434.48
    n-nonanol 120.96
    cyclohexanol 338.33
    benzyl alcohol 196.8
    2-ethylhexanol 221.92
    isooctanol 120.93
    dipropyl ether 172.79
    1,2-dichlorobenzene 289.06
    ethyl lactate 169.61
    propylene carbonate 628.0
    n-methylformamide 499.74
    2-pentanol 297.93
    n-pentane 19.21
    1-propoxy-2-propanol 463.75
    1-methoxy-2-propyl acetate 437.61
    2-(2-methoxypropoxy) propanol 317.54
    mesitylene 64.74
    ε-caprolactone 634.56
    p-cymene 82.92
    epichlorohydrin 1120.95
    1,1,1-trichloroethane 636.58
    2-aminoethanol 338.61
    morpholine-4-carbaldehyde 605.67
    sulfolane 1149.14
    2,2,4-trimethylpentane 19.49
    2-methyltetrahydrofuran 758.1
    n-hexyl acetate 332.33
    isooctane 15.67
    2-(2-butoxyethoxy)ethanol 430.46
    sec-butyl acetate 213.71
    tert-butyl acetate 334.55
    decalin 24.74
    glycerin 308.87
    diglyme 710.65
    acrylic acid 568.21
    isopropyl myristate 112.85
    n-butyric acid 885.83
    acetyl acetate 350.7
    di(2-ethylhexyl) phthalate 125.54
    ethyl propionate 266.03
    nitromethane 1229.64
    1,2-diethoxyethane 347.4
    benzonitrile 314.52
    trioctyl phosphate 92.09
    1-bromopropane 305.13
    gamma-valerolactone 976.23
    n-decanol 89.55
    triethyl phosphate 123.08
    4-methyl-2-pentanol 157.06
    propionitrile 391.9
    vinylene carbonate 504.64
    1,1,2-trichlorotrifluoroethane 714.65
    DMS 244.94
    cumene 64.36
    2-octanol 100.38
    2-hexanone 292.36
    octyl acetate 154.11
    limonene 126.53
    1,2-dimethoxyethane 554.53
    ethyl orthosilicate 114.38
    tributyl phosphate 122.38
    diacetone alcohol 457.18
    N,N-dimethylaniline 127.75
    acrylonitrile 528.14
    aniline 207.66
    1,3-propanediol 520.12
    bromobenzene 247.68
    dibromomethane 615.85
    1,1,2,2-tetrachloroethane 970.89
    2-methyl-cyclohexyl acetate 230.99
    tetrabutyl urea 142.7
    diisobutyl methanol 126.09
    2-phenylethanol 245.53
    styrene 90.44
    dioctyl adipate 184.12
    dimethyl sulfate 232.09
    ethyl butyrate 307.61
    methyl lactate 230.4
    butyl lactate 221.43
    diethyl carbonate 211.11
    propanediol butyl ether 333.96
    triethyl orthoformate 185.07
    p-tert-butyltoluene 83.43
    methyl 4-tert-butylbenzoate 229.98
    morpholine 779.27
    tert-butylamine 307.1
    n-dodecanol 67.4
    dimethoxymethane 319.64
    ethylene carbonate 377.36
    cyrene 252.78
    2-ethoxyethyl acetate 325.9
    2-ethylhexyl acetate 296.61
    1,2,4-trichlorobenzene 344.67
    4-methylpyridine 415.56
    dibutyl ether 134.11
    2,6-dimethyl-4-heptanol 126.09
    DEF 410.34
    dimethyl isosorbide 493.07
    tetrachloroethylene 643.96
    eugenol 255.0
    triacetin 303.56
    span 80 302.76
    1,4-butanediol 181.99
    1,1-dichloroethane 659.74
    2-methyl-1-pentanol 259.01
    methyl formate 391.16
    2-methyl-1-butanol 353.71
    n-decane 13.44
    butyronitrile 434.94
    3,7-dimethyl-1-octanol 170.92
    1-chlorooctane 78.75
    1-chlorotetradecane 32.45
    n-nonane 12.95
    undecane 10.65
    tert-butylcyclohexane 26.27
    cyclooctane 10.38
    cyclopentanol 476.84
    tetrahydropyran 598.11
    tert-amyl methyl ether 226.62
    2,5,8-trioxanonane 461.87
    1-hexene 98.51
    2-isopropoxyethanol 288.47
    2,2,2-trifluoroethanol 288.07
    methyl butyrate 390.16

    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
Narcissus tazetta headspace (China) 1 8023-75-4 Narcissus tazetta L. var. chinensis Roem., fam. Amaryllidaceae 0.15%
Truffle, Asian Tuber indicum Cooke et Mass. (T. himalayense Zhang-Minter),fam.Ascomycetae 1.0%