Methyl valerate

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    624-24-8

    Molecular formula
    C6H12O2

    SMILES
    CCCCC(=O)OC

    Safety labels

    Flammable
    Flammable

    Retention indicies (RI)

    • DB5: 825.0
    • Carbowax: 1076.0

  • Odor profile

    Fruity 98.49%
    Sweet 81.44%
    Pineapple 76.37%
    Ethereal 70.91%
    Apple 67.94%
    Banana 66.44%
    Green 55.29%
    Tropical 53.84%
    Rummy 53.76%
    Ripe 50.58%

    Scent© AI

  • Properties

    XLogP3-AA
    2.0

    Molecular weight
    116.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point

    • 259.7 °F at 760 mmHg (NTP, 1992)
    • 118.00 to 119.00 °C. @ 760.00 mm Hg

    Flash point est.
    30.1 ˚C

    Flash point expt.

    • 72 °F (NTP, 1992)

    Solubility expt.

    • less than 1 mg/mL at 72 °F (NTP, 1992)
    • 5.06 mg/mL at 25 °C
    • soluble in propylene glycol, alcohol, most fixed oils; very slightly soluble in water

  • Synonyms

    • METHYL VALERATE
    • Methyl pentanoate
    • 624-24-8
    • Valeric acid, methyl ester
    • Pentanoic acid, methyl ester
    • Methyl valerianate
    • Methyl n-valerate
    • FEMA No. 2752
    • Pentanoic acid methyl ester
    • VALERIC ACID METHYL ESTER
    • ZW21JJJ9VN
    • n-Valeric acid methyl ester
    • EINECS 210-838-0
    • BRN 1741905
    • MFCD00009478
    • METHYL VALERATE [FCC]
    • Methyl ester of pentanoic acid
    • METHYL VALERATE [FHFI]
    • DTXSID9060784
    • METHYL VALERATE [WHO-DD]
    • 4-02-00-00871 (Beilstein Handbook Reference)
    • UNII-ZW21JJJ9VN
    • Methyl valerate, 99%
    • Valeric acid-methyl ester
    • CH3(CH2)3COOCH3
    • SCHEMBL51016
    • DTXCID1043332
    • Methyl valerate, >=99%, FG
    • FEMA 2752
    • Methyl valerate, analytical standard
    • LMFA07010966
    • AKOS008907316
    • FV139050
    • NS00013009
    • V0005
    • n-Valeric acid methyl ester [standard material]
    • Q388740
    • 0A8C9E39-6D10-4689-A5D6-E822CE8E0F98
    • 210-838-0

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1429.55
    methanol 1937.01
    isopropanol 1142.87
    water 4.86
    ethyl acetate 286.55
    n-propanol 985.55
    acetone 501.81
    n-butanol 845.29
    acetonitrile 710.05
    DMF 852.39
    toluene 214.85
    isobutanol 648.88
    1,4-dioxane 955.95
    methyl acetate 369.89
    THF 755.63
    2-butanone 413.75
    n-pentanol 581.78
    sec-butanol 853.92
    n-hexane 76.3
    ethylene glycol 337.44
    NMP 591.3
    cyclohexane 139.86
    DMSO 723.07
    n-butyl acetate 326.44
    n-octanol 306.56
    chloroform 1852.52
    n-propyl acetate 218.25
    acetic acid 1095.03
    dichloromethane 1421.65
    cyclohexanone 604.48
    propylene glycol 443.36
    isopropyl acetate 154.03
    DMAc 571.73
    2-ethoxyethanol 615.4
    isopentanol 589.26
    n-heptane 54.12
    ethyl formate 374.16
    1,2-dichloroethane 603.87
    n-hexanol 539.17
    2-methoxyethanol 1045.07
    isobutyl acetate 146.26
    tetrachloromethane 290.97
    n-pentyl acetate 226.81
    transcutol 1021.51
    n-heptanol 263.48
    ethylbenzene 156.0
    MIBK 167.95
    2-propoxyethanol 597.97
    tert-butanol 1059.23
    MTBE 427.99
    2-butoxyethanol 399.9
    propionic acid 661.72
    o-xylene 160.39
    formic acid 398.36
    diethyl ether 353.35
    m-xylene 140.29
    p-xylene 220.2
    chlorobenzene 388.63
    dimethyl carbonate 78.77
    n-octane 27.9
    formamide 398.35
    cyclopentanone 549.08
    2-pentanone 267.27
    anisole 292.51
    cyclopentyl methyl ether 281.8
    gamma-butyrolactone 628.6
    1-methoxy-2-propanol 625.87
    pyridine 845.36
    3-pentanone 182.75
    furfural 767.34
    n-dodecane 27.56
    diethylene glycol 466.01
    diisopropyl ether 81.82
    tert-amyl alcohol 819.7
    acetylacetone 238.6
    n-hexadecane 30.49
    acetophenone 265.23
    methyl propionate 206.75
    isopentyl acetate 286.16
    trichloroethylene 1219.48
    n-nonanol 247.02
    cyclohexanol 646.83
    benzyl alcohol 357.41
    2-ethylhexanol 294.55
    isooctanol 206.06
    dipropyl ether 187.45
    1,2-dichlorobenzene 330.89
    ethyl lactate 155.81
    propylene carbonate 393.89
    n-methylformamide 554.28
    2-pentanol 475.5
    n-pentane 83.89
    1-propoxy-2-propanol 436.27
    1-methoxy-2-propyl acetate 205.37
    2-(2-methoxypropoxy) propanol 314.93
    mesitylene 92.74
    ε-caprolactone 516.15
    p-cymene 110.33
    epichlorohydrin 713.6
    1,1,1-trichloroethane 628.2
    2-aminoethanol 667.69
    morpholine-4-carbaldehyde 669.16
    sulfolane 675.02
    2,2,4-trimethylpentane 45.25
    2-methyltetrahydrofuran 619.79
    n-hexyl acetate 344.31
    isooctane 29.13
    2-(2-butoxyethoxy)ethanol 428.19
    sec-butyl acetate 139.85
    tert-butyl acetate 174.64
    decalin 58.62
    glycerin 477.55
    diglyme 706.84
    acrylic acid 564.72
    isopropyl myristate 122.4
    n-butyric acid 762.02
    acetyl acetate 177.12
    di(2-ethylhexyl) phthalate 146.16
    ethyl propionate 162.46
    nitromethane 821.11
    1,2-diethoxyethane 317.94
    benzonitrile 522.76
    trioctyl phosphate 108.67
    1-bromopropane 449.18
    gamma-valerolactone 749.95
    n-decanol 173.44
    triethyl phosphate 113.71
    4-methyl-2-pentanol 220.78
    propionitrile 553.98
    vinylene carbonate 422.94
    1,1,2-trichlorotrifluoroethane 667.2
    DMS 169.01
    cumene 113.77
    2-octanol 199.99
    2-hexanone 270.36
    octyl acetate 173.3
    limonene 171.91
    1,2-dimethoxyethane 773.79
    ethyl orthosilicate 107.05
    tributyl phosphate 121.51
    diacetone alcohol 288.75
    N,N-dimethylaniline 207.56
    acrylonitrile 673.19
    aniline 380.18
    1,3-propanediol 807.33
    bromobenzene 387.6
    dibromomethane 953.66
    1,1,2,2-tetrachloroethane 974.08
    2-methyl-cyclohexyl acetate 183.6
    tetrabutyl urea 163.54
    diisobutyl methanol 150.07
    2-phenylethanol 308.97
    styrene 217.51
    dioctyl adipate 190.18
    dimethyl sulfate 138.24
    ethyl butyrate 203.95
    methyl lactate 183.02
    butyl lactate 212.18
    diethyl carbonate 154.8
    propanediol butyl ether 404.51
    triethyl orthoformate 152.16
    p-tert-butyltoluene 105.86
    methyl 4-tert-butylbenzoate 246.94
    morpholine 1174.33
    tert-butylamine 670.63
    n-dodecanol 129.22
    dimethoxymethane 300.84
    ethylene carbonate 318.71
    cyrene 245.29
    2-ethoxyethyl acetate 251.26
    2-ethylhexyl acetate 213.57
    1,2,4-trichlorobenzene 379.67
    4-methylpyridine 689.83
    dibutyl ether 217.2
    2,6-dimethyl-4-heptanol 150.07
    DEF 364.8
    dimethyl isosorbide 351.9
    tetrachloroethylene 675.71
    eugenol 278.91
    triacetin 252.63
    span 80 342.59
    1,4-butanediol 390.56
    1,1-dichloroethane 736.45
    2-methyl-1-pentanol 450.65
    methyl formate 339.04
    2-methyl-1-butanol 554.03
    n-decane 43.54
    butyronitrile 650.23
    3,7-dimethyl-1-octanol 253.24
    1-chlorooctane 154.5
    1-chlorotetradecane 65.09
    n-nonane 43.62
    undecane 33.24
    tert-butylcyclohexane 59.93
    cyclooctane 31.95
    cyclopentanol 676.53
    tetrahydropyran 786.05
    tert-amyl methyl ether 286.08
    2,5,8-trioxanonane 493.43
    1-hexene 270.2
    2-isopropoxyethanol 374.11
    2,2,2-trifluoroethanol 236.2
    methyl butyrate 289.16

    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
Genet headspace 2 8023-80-1 Spartium junceum L., fam. Leguminosae (Papilionaceae) 0.01%
Aglaia duperreana flower (China) Aglaia duperreana Pierre, fam. Meliaceae 0.22%
Cyphomandra betacea fruit Cyphomandra betacea Sendtn., fam. Solanaceae (tree tomato, tamarillo) 0.2%