Valeryl chloride

Overview IFRA Request a quote

  • Identifiers

    CAS number
    638-29-9

    Molecular formula
    C5H9ClO

    SMILES
    CCCCC(=O)Cl

    Safety labels

    Flammable
    Flammable

    Corrosive
    Corrosive

    Acute Toxic
    Acute Toxic

  • Odor profile

    Cheesy 69.35%
    Fruity 61.47%
    Fatty 42.02%
    Sour 40.91%
    Dairy 36.07%
    Pungent 35.41%
    Green 34.93%
    Buttery 31.9%
    Sweaty 31.89%
    Oily 29.61%

    Scent© AI

  • Properties

    XLogP3-AA
    2.4

    Molecular weight
    120.58 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    131°C

    Flash point est.
    41.05 ˚C

  • Synonyms

    • Valeryl chloride
    • PENTANOYL CHLORIDE
    • 638-29-9
    • Valeroyl chloride
    • valerylchloride
    • n-pentanoyl chloride
    • pentanoic acid chloride
    • n-valeryl chloride
    • n-Valeroyl chloride
    • n-Butanecarbonyl chloride
    • KJ3B4CY5GG
    • UN2502
    • DTXSID2034091
    • DTXCID0014091
    • XGISHOFUAFNYQF-UHFFFAOYSA-
    • MFCD00000757
    • UN 2502
    • EINECS 211-330-1
    • valerylchlorid
    • valeroylchloride
    • pentanoylchloride
    • valeroyl-chloride
    • N-Valerylchloride
    • N-pentoyl chloride
    • nPentanoyl chloride
    • valeric acid chloride
    • 1-chloro-1-pentanone
    • nButanecarbonyl chloride
    • n-pentanoic acid chloride
    • UNII-KJ3B4CY5GG
    • Valeroyl chloride, 98%
    • EC 211-330-1
    • SCHEMBL3163
    • butanecarboxylic acid chloride
    • CHEMBL1607711
    • valeryl chloride; pentanoyl chloride
    • Tox21_200690
    • BBL012216
    • STL163557
    • AKOS000121233
    • HY-W245820
    • NCGC00090969-01
    • NCGC00090969-02
    • NCGC00258244-01
    • CAS-638-29-9
    • VS-03237
    • Valeryl chloride [UN2502] [Corrosive]
    • Valeroyl chloride, purum, >=98.0% (T)
    • NS00008985
    • V0010
    • A834544
    • Q48996224
    • F2190-0013
    • Pentanoic Acid Chloride; Valeroyl Chloride; n-Butanecarbonyl Chloride; n-Pentanoyl Chloride
    • 211-330-1

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 253.31
    methanol 264.89
    isopropanol 260.8
    water 1.17
    ethyl acetate 199.85
    n-propanol 224.61
    acetone 478.57
    n-butanol 222.35
    acetonitrile 213.95
    DMF 1072.85
    toluene 139.16
    isobutanol 200.52
    1,4-dioxane 317.9
    methyl acetate 242.96
    THF 588.03
    2-butanone 362.3
    n-pentanol 175.16
    sec-butanol 238.59
    n-hexane 46.56
    ethylene glycol 88.59
    NMP 742.54
    cyclohexane 50.46
    DMSO 719.8
    n-butyl acetate 263.84
    n-octanol 175.1
    chloroform 556.53
    n-propyl acetate 159.53
    acetic acid 317.77
    dichloromethane 419.39
    cyclohexanone 455.65
    propylene glycol 146.95
    isopropyl acetate 145.62
    DMAc 646.62
    2-ethoxyethanol 197.25
    isopentanol 218.13
    n-heptane 35.69
    ethyl formate 169.34
    1,2-dichloroethane 304.09
    n-hexanol 246.65
    2-methoxyethanol 348.26
    isobutyl acetate 122.07
    tetrachloromethane 85.57
    n-pentyl acetate 184.79
    transcutol 831.05
    n-heptanol 135.55
    ethylbenzene 118.63
    MIBK 178.93
    2-propoxyethanol 327.57
    tert-butanol 316.02
    MTBE 231.28
    2-butoxyethanol 211.4
    propionic acid 234.02
    o-xylene 124.38
    formic acid 87.18
    diethyl ether 147.02
    m-xylene 131.51
    p-xylene 161.41
    chlorobenzene 233.97
    dimethyl carbonate 97.14
    n-octane 21.22
    formamide 113.65
    cyclopentanone 604.57
    2-pentanone 268.48
    anisole 205.04
    cyclopentyl methyl ether 249.54
    gamma-butyrolactone 532.23
    1-methoxy-2-propanol 332.02
    pyridine 379.35
    3-pentanone 188.61
    furfural 529.69
    n-dodecane 19.98
    diethylene glycol 251.38
    diisopropyl ether 64.48
    tert-amyl alcohol 270.17
    acetylacetone 318.22
    n-hexadecane 22.58
    acetophenone 235.91
    methyl propionate 189.13
    isopentyl acetate 242.39
    trichloroethylene 667.34
    n-nonanol 150.16
    cyclohexanol 234.66
    benzyl alcohol 190.63
    2-ethylhexanol 167.79
    isooctanol 116.57
    dipropyl ether 128.62
    1,2-dichlorobenzene 232.38
    ethyl lactate 116.35
    propylene carbonate 295.62
    n-methylformamide 284.67
    2-pentanol 180.9
    n-pentane 32.97
    1-propoxy-2-propanol 290.16
    1-methoxy-2-propyl acetate 237.37
    2-(2-methoxypropoxy) propanol 291.87
    mesitylene 92.33
    ε-caprolactone 352.95
    p-cymene 94.73
    epichlorohydrin 454.37
    1,1,1-trichloroethane 341.18
    2-aminoethanol 159.09
    morpholine-4-carbaldehyde 528.03
    sulfolane 706.7
    2,2,4-trimethylpentane 25.48
    2-methyltetrahydrofuran 403.02
    n-hexyl acetate 288.33
    isooctane 20.72
    2-(2-butoxyethoxy)ethanol 351.36
    sec-butyl acetate 124.3
    tert-butyl acetate 197.76
    decalin 38.75
    glycerin 181.92
    diglyme 541.5
    acrylic acid 233.34
    isopropyl myristate 117.16
    n-butyric acid 299.88
    acetyl acetate 142.07
    di(2-ethylhexyl) phthalate 125.5
    ethyl propionate 143.7
    nitromethane 446.85
    1,2-diethoxyethane 242.48
    benzonitrile 268.46
    trioctyl phosphate 95.57
    1-bromopropane 188.03
    gamma-valerolactone 572.82
    n-decanol 114.31
    triethyl phosphate 99.32
    4-methyl-2-pentanol 123.71
    propionitrile 193.18
    vinylene carbonate 295.35
    1,1,2-trichlorotrifluoroethane 387.31
    DMS 191.13
    cumene 91.91
    2-octanol 125.46
    2-hexanone 225.13
    octyl acetate 153.39
    limonene 135.43
    1,2-dimethoxyethane 358.17
    ethyl orthosilicate 93.82
    tributyl phosphate 111.62
    diacetone alcohol 288.53
    N,N-dimethylaniline 181.49
    acrylonitrile 270.52
    aniline 182.09
    1,3-propanediol 208.43
    bromobenzene 236.73
    dibromomethane 303.94
    1,1,2,2-tetrachloroethane 523.59
    2-methyl-cyclohexyl acetate 166.5
    tetrabutyl urea 170.18
    diisobutyl methanol 112.32
    2-phenylethanol 209.16
    styrene 143.81
    dioctyl adipate 172.7
    dimethyl sulfate 197.37
    ethyl butyrate 163.28
    methyl lactate 147.54
    butyl lactate 188.98
    diethyl carbonate 116.04
    propanediol butyl ether 311.92
    triethyl orthoformate 125.14
    p-tert-butyltoluene 96.14
    methyl 4-tert-butylbenzoate 244.15
    morpholine 395.58
    tert-butylamine 209.41
    n-dodecanol 89.29
    dimethoxymethane 274.19
    ethylene carbonate 198.81
    cyrene 212.7
    2-ethoxyethyl acetate 220.52
    2-ethylhexyl acetate 188.59
    1,2,4-trichlorobenzene 289.1
    4-methylpyridine 376.45
    dibutyl ether 165.1
    2,6-dimethyl-4-heptanol 112.32
    DEF 323.88
    dimethyl isosorbide 373.76
    tetrachloroethylene 322.05
    eugenol 277.75
    triacetin 260.87
    span 80 285.86
    1,4-butanediol 103.08
    1,1-dichloroethane 333.48
    2-methyl-1-pentanol 177.35
    methyl formate 214.56
    2-methyl-1-butanol 204.32
    n-decane 32.23
    butyronitrile 216.25
    3,7-dimethyl-1-octanol 173.41
    1-chlorooctane 115.82
    1-chlorotetradecane 51.05
    n-nonane 32.38
    undecane 24.65
    tert-butylcyclohexane 38.69
    cyclooctane 19.73
    cyclopentanol 294.77
    tetrahydropyran 335.66
    tert-amyl methyl ether 181.46
    2,5,8-trioxanonane 422.56
    1-hexene 138.14
    2-isopropoxyethanol 163.0
    2,2,2-trifluoroethanol 106.9
    methyl butyrate 216.49

    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