Delta-Valerolactone

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    542-28-9

    Molecular formula
    C5H8O2

    SMILES
    C1CCOC(=O)C1

    Safety labels

    Corrosive
    Corrosive

  • Odor profile

    Fruity 63.14%
    Fatty 62.75%
    Oily 60.28%
    Coconut 58.47%
    Sweet 53.2%
    Coumarinic 52.0%
    Creamy 49.98%
    Buttery 48.29%
    Nutty 42.42%
    Lactonic 41.96%

    Scent© AI

  • Properties

    XLogP3-AA
    -0.3

    Molecular weight
    100.12 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    220°C

    Flash point est.
    50.75 ˚C

  • Synonyms

    • delta-Valerolactone
    • 542-28-9
    • TETRAHYDRO-2H-PYRAN-2-ONE
    • 5-Valerolactone
    • oxan-2-one
    • 2H-Pyran-2-one, tetrahydro-
    • tetrahydropyran-2-one
    • Tetrahydro-2-pyranone
    • Valerolactone
    • Penta-1,5-lactone
    • delta-Valeryllactone
    • .delta.-Valerolactone
    • 26354-94-9
    • NSC 6247
    • DTXSID6044438
    • CHEBI:16545
    • .delta.-Valeryllactone
    • tetrahydro-pyran-2-one
    • 1-Oxacyclohexan-2-one
    • NSC-6247
    • EINECS 208-807-1
    • 14V1X9149L
    • Pentanoic acid, 5-hydroxy-, delta-lactone
    • AI3-25024
    • CHEMBL452383
    • Valeric acid, delta-hydroxy-, delta-lactone
    • DTXCID4024438
    • EC 208-807-1
    • MFCD00006645
    • d-valerolactone
    • Cyclopentanolide
    • 5-pentanolide
    • UNII-14V1X9149L
    • Pentan-5-olide
    • Delta valerolactone
    • Delta-Valerolactotie
    • delta -Valerolactone
    • .delta.-Pentalactone
    • delta-valerothiolactone
    • tetrahydro-4H-pyranone
    • WLN: T6OVTJ
    • SCHEMBL37722
    • Valeric acid, .delta.-lactone
    • Pentanoic acid, .delta.-lactone
    • NSC6247
    • DELTA-VALEROLACTONE [INCI]
    • NSC65442
    • STR08736
    • delta-Valerolactone, technical grade
    • Tox21_302166
    • BDBM50360797
    • NSC 65442
    • NSC-65442
    • s3099
    • AKOS009158729
    • CS-W013713
    • FV62738
    • HY-W012997
    • 5-Hydroxypentanoic acid .delta.-lactone
    • NCGC00255756-01
    • CAS-542-28-9
    • Delta-valerolactone (may contain polymer)
    • SY018264
    • DB-050659
    • NS00005148
    • V0039
    • EN300-43042
    • Pentanoic acid, 5-hydroxy-, .delta.-lactone
    • tetrahydro-2H-pyran-2-one,2-Perhydropyranone
    • C02240
    • Q903610
    • Valeric acid, .delta.-hydroxy-, .delta.-lactone
    • Z432085120
    • 208-807-1

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 315.12
    methanol 485.5
    isopropanol 178.24
    water 15.12
    ethyl acetate 117.25
    n-propanol 172.79
    acetone 285.69
    n-butanol 133.27
    acetonitrile 350.03
    DMF 430.57
    toluene 26.25
    isobutanol 112.37
    1,4-dioxane 235.21
    methyl acetate 160.07
    THF 235.89
    2-butanone 151.21
    n-pentanol 104.18
    sec-butanol 121.67
    n-hexane 4.54
    ethylene glycol 98.23
    NMP 354.57
    cyclohexane 4.62
    DMSO 521.57
    n-butyl acetate 68.27
    n-octanol 52.23
    chloroform 504.45
    n-propyl acetate 75.17
    acetic acid 1058.97
    dichloromethane 443.46
    cyclohexanone 189.5
    propylene glycol 109.31
    isopropyl acetate 58.5
    DMAc 271.75
    2-ethoxyethanol 176.22
    isopentanol 110.17
    n-heptane 3.04
    ethyl formate 127.46
    1,2-dichloroethane 178.26
    n-hexanol 67.68
    2-methoxyethanol 324.3
    isobutyl acetate 40.39
    tetrachloromethane 29.44
    n-pentyl acetate 65.82
    transcutol 880.56
    n-heptanol 39.56
    ethylbenzene 19.76
    MIBK 58.88
    2-propoxyethanol 138.39
    tert-butanol 160.17
    MTBE 59.61
    2-butoxyethanol 105.05
    propionic acid 338.87
    o-xylene 26.65
    formic acid 437.87
    diethyl ether 58.81
    m-xylene 24.29
    p-xylene 35.36
    chlorobenzene 106.04
    dimethyl carbonate 47.71
    n-octane 1.98
    formamide 516.52
    cyclopentanone 266.66
    2-pentanone 96.59
    anisole 71.94
    cyclopentyl methyl ether 65.88
    gamma-butyrolactone 405.04
    1-methoxy-2-propanol 196.25
    pyridine 299.52
    3-pentanone 58.89
    furfural 418.81
    n-dodecane 2.63
    diethylene glycol 161.11
    diisopropyl ether 13.76
    tert-amyl alcohol 120.97
    acetylacetone 145.82
    n-hexadecane 2.84
    acetophenone 89.39
    methyl propionate 94.57
    isopentyl acetate 60.35
    trichloroethylene 455.8
    n-nonanol 43.26
    cyclohexanol 82.28
    benzyl alcohol 97.97
    2-ethylhexanol 35.9
    isooctanol 34.61
    dipropyl ether 24.73
    1,2-dichlorobenzene 100.0
    ethyl lactate 50.69
    propylene carbonate 180.88
    n-methylformamide 327.3
    2-pentanol 72.79
    n-pentane 3.77
    1-propoxy-2-propanol 85.62
    1-methoxy-2-propyl acetate 71.38
    2-(2-methoxypropoxy) propanol 137.05
    mesitylene 16.39
    ε-caprolactone 192.09
    p-cymene 16.26
    epichlorohydrin 303.59
    1,1,1-trichloroethane 115.14
    2-aminoethanol 185.96
    morpholine-4-carbaldehyde 338.9
    sulfolane 380.08
    2,2,4-trimethylpentane 3.83
    2-methyltetrahydrofuran 151.56
    n-hexyl acetate 105.98
    isooctane 2.8
    2-(2-butoxyethoxy)ethanol 209.08
    sec-butyl acetate 42.52
    tert-butyl acetate 62.44
    decalin 4.56
    glycerin 175.52
    diglyme 305.94
    acrylic acid 380.6
    isopropyl myristate 31.15
    n-butyric acid 293.56
    acetyl acetate 109.64
    di(2-ethylhexyl) phthalate 49.19
    ethyl propionate 55.38
    nitromethane 981.79
    1,2-diethoxyethane 118.04
    benzonitrile 162.82
    trioctyl phosphate 30.3
    1-bromopropane 65.09
    gamma-valerolactone 352.55
    n-decanol 31.46
    triethyl phosphate 30.91
    4-methyl-2-pentanol 43.24
    propionitrile 157.78
    vinylene carbonate 194.94
    1,1,2-trichlorotrifluoroethane 295.09
    DMS 85.24
    cumene 18.1
    2-octanol 30.53
    2-hexanone 75.69
    octyl acetate 46.58
    limonene 20.94
    1,2-dimethoxyethane 188.18
    ethyl orthosilicate 27.52
    tributyl phosphate 42.85
    diacetone alcohol 111.77
    N,N-dimethylaniline 50.52
    acrylonitrile 291.34
    aniline 98.96
    1,3-propanediol 212.57
    bromobenzene 89.71
    dibromomethane 213.56
    1,1,2,2-tetrachloroethane 308.04
    2-methyl-cyclohexyl acetate 47.03
    tetrabutyl urea 53.94
    diisobutyl methanol 22.56
    2-phenylethanol 73.93
    styrene 31.39
    dioctyl adipate 62.69
    dimethyl sulfate 100.87
    ethyl butyrate 48.78
    methyl lactate 81.53
    butyl lactate 71.16
    diethyl carbonate 40.61
    propanediol butyl ether 153.92
    triethyl orthoformate 36.73
    p-tert-butyltoluene 14.38
    methyl 4-tert-butylbenzoate 84.71
    morpholine 267.53
    tert-butylamine 74.14
    n-dodecanol 23.11
    dimethoxymethane 116.98
    ethylene carbonate 126.98
    cyrene 101.98
    2-ethoxyethyl acetate 110.9
    2-ethylhexyl acetate 44.23
    1,2,4-trichlorobenzene 126.56
    4-methylpyridine 203.56
    dibutyl ether 42.69
    2,6-dimethyl-4-heptanol 22.56
    DEF 129.59
    dimethyl isosorbide 159.45
    tetrachloroethylene 198.54
    eugenol 104.84
    triacetin 125.07
    span 80 119.32
    1,4-butanediol 87.14
    1,1-dichloroethane 171.45
    2-methyl-1-pentanol 88.94
    methyl formate 201.13
    2-methyl-1-butanol 99.13
    n-decane 3.81
    butyronitrile 144.62
    3,7-dimethyl-1-octanol 50.37
    1-chlorooctane 21.06
    1-chlorotetradecane 9.01
    n-nonane 3.32
    undecane 3.1
    tert-butylcyclohexane 4.81
    cyclooctane 1.71
    cyclopentanol 126.9
    tetrahydropyran 125.13
    tert-amyl methyl ether 44.29
    2,5,8-trioxanonane 230.95
    1-hexene 23.04
    2-isopropoxyethanol 100.37
    2,2,2-trifluoroethanol 241.54
    methyl butyrate 85.99

    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
Chicory root, roasted 2 68650-43-1 Cichorium intybus L., fam. Asteraceae (Compositae) 0.78%