Photocitral B

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    6040-45-5

    Molecular formula
    C10H16O

    SMILES
    CC1(C2CCC1(C2C=O)C)C

  • Odor profile

    Woody 81.3%
    Herbal 62.43%
    Green 54.95%
    Camphoreous 44.93%
    Pine 43.51%
    Spicy 38.6%
    Cedar 38.19%
    Dry 37.01%
    Earthy 36.92%
    Balsamic 36.22%

    Scent© AI

  • Properties

    XLogP3-AA
    2.4

    Molecular weight
    152.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    197°C

    Flash point est.
    59.89 ˚C

  • Synonyms

    • Photocitral B
    • DTXSID80304538
    • 6040-45-5
    • NSC166191
    • DTXCID60255670
    • NSC-166191

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 609.5
    methanol 689.09
    isopropanol 588.74
    water 35.56
    ethyl acetate 998.49
    n-propanol 553.17
    acetone 915.51
    n-butanol 451.95
    acetonitrile 1017.03
    DMF 1035.92
    toluene 514.74
    isobutanol 398.85
    1,4-dioxane 1733.04
    methyl acetate 1062.55
    THF 1399.93
    2-butanone 771.87
    n-pentanol 220.45
    sec-butanol 389.48
    n-hexane 51.5
    ethylene glycol 288.96
    NMP 447.03
    cyclohexane 113.3
    DMSO 563.14
    n-butyl acetate 474.24
    n-octanol 179.4
    chloroform 1977.73
    n-propyl acetate 387.84
    acetic acid 482.49
    dichloromethane 1392.08
    cyclohexanone 650.32
    propylene glycol 305.64
    isopropyl acetate 652.12
    DMAc 633.75
    2-ethoxyethanol 541.24
    isopentanol 383.18
    n-heptane 52.41
    ethyl formate 575.95
    1,2-dichloroethane 925.83
    n-hexanol 386.43
    2-methoxyethanol 1096.91
    isobutyl acetate 266.59
    tetrachloromethane 471.06
    n-pentyl acetate 251.9
    transcutol 1377.15
    n-heptanol 206.8
    ethylbenzene 302.95
    MIBK 415.52
    2-propoxyethanol 863.24
    tert-butanol 669.57
    MTBE 619.88
    2-butoxyethanol 433.73
    propionic acid 495.27
    o-xylene 353.37
    formic acid 374.01
    diethyl ether 674.59
    m-xylene 413.04
    p-xylene 471.34
    chlorobenzene 650.96
    dimethyl carbonate 462.82
    n-octane 28.42
    formamide 711.59
    cyclopentanone 805.61
    2-pentanone 556.25
    anisole 633.76
    cyclopentyl methyl ether 544.27
    gamma-butyrolactone 1007.76
    1-methoxy-2-propanol 901.29
    pyridine 1012.6
    3-pentanone 474.21
    furfural 910.13
    n-dodecane 22.2
    diethylene glycol 781.43
    diisopropyl ether 268.51
    tert-amyl alcohol 376.51
    acetylacetone 870.69
    n-hexadecane 25.88
    acetophenone 438.51
    methyl propionate 704.72
    isopentyl acetate 434.12
    trichloroethylene 1592.7
    n-nonanol 171.03
    cyclohexanol 351.55
    benzyl alcohol 383.16
    2-ethylhexanol 207.47
    isooctanol 166.46
    dipropyl ether 332.45
    1,2-dichlorobenzene 589.58
    ethyl lactate 231.67
    propylene carbonate 614.4
    n-methylformamide 853.07
    2-pentanol 321.11
    n-pentane 69.27
    1-propoxy-2-propanol 562.37
    1-methoxy-2-propyl acetate 701.66
    2-(2-methoxypropoxy) propanol 365.18
    mesitylene 281.3
    ε-caprolactone 580.6
    p-cymene 184.03
    epichlorohydrin 1223.19
    1,1,1-trichloroethane 1133.86
    2-aminoethanol 466.25
    morpholine-4-carbaldehyde 888.75
    sulfolane 634.96
    2,2,4-trimethylpentane 37.89
    2-methyltetrahydrofuran 785.8
    n-hexyl acetate 342.05
    isooctane 44.24
    2-(2-butoxyethoxy)ethanol 503.49
    sec-butyl acetate 322.15
    tert-butyl acetate 643.08
    decalin 65.77
    glycerin 402.94
    diglyme 1001.7
    acrylic acid 467.78
    isopropyl myristate 159.44
    n-butyric acid 568.68
    acetyl acetate 712.55
    di(2-ethylhexyl) phthalate 132.92
    ethyl propionate 440.26
    nitromethane 1297.36
    1,2-diethoxyethane 584.06
    benzonitrile 525.72
    trioctyl phosphate 99.0
    1-bromopropane 482.31
    gamma-valerolactone 1155.89
    n-decanol 132.34
    triethyl phosphate 171.18
    4-methyl-2-pentanol 248.85
    propionitrile 719.15
    vinylene carbonate 669.96
    1,1,2-trichlorotrifluoroethane 731.57
    DMS 479.45
    cumene 216.47
    2-octanol 131.23
    2-hexanone 323.22
    octyl acetate 181.65
    limonene 190.15
    1,2-dimethoxyethane 906.72
    ethyl orthosilicate 170.33
    tributyl phosphate 118.77
    diacetone alcohol 565.27
    N,N-dimethylaniline 349.86
    acrylonitrile 912.1
    aniline 626.86
    1,3-propanediol 616.06
    bromobenzene 673.79
    dibromomethane 899.52
    1,1,2,2-tetrachloroethane 1214.69
    2-methyl-cyclohexyl acetate 254.17
    tetrabutyl urea 139.43
    diisobutyl methanol 170.37
    2-phenylethanol 508.1
    styrene 339.29
    dioctyl adipate 178.12
    dimethyl sulfate 483.04
    ethyl butyrate 358.41
    methyl lactate 411.51
    butyl lactate 224.28
    diethyl carbonate 296.87
    propanediol butyl ether 317.96
    triethyl orthoformate 259.63
    p-tert-butyltoluene 193.22
    methyl 4-tert-butylbenzoate 342.54
    morpholine 1378.82
    tert-butylamine 428.11
    n-dodecanol 104.52
    dimethoxymethane 938.66
    ethylene carbonate 583.93
    cyrene 267.34
    2-ethoxyethyl acetate 453.55
    2-ethylhexyl acetate 307.55
    1,2,4-trichlorobenzene 624.31
    4-methylpyridine 882.01
    dibutyl ether 203.73
    2,6-dimethyl-4-heptanol 170.37
    DEF 490.99
    dimethyl isosorbide 605.31
    tetrachloroethylene 873.34
    eugenol 354.69
    triacetin 344.4
    span 80 261.65
    1,4-butanediol 205.87
    1,1-dichloroethane 1086.49
    2-methyl-1-pentanol 183.12
    methyl formate 716.22
    2-methyl-1-butanol 309.54
    n-decane 36.58
    butyronitrile 569.99
    3,7-dimethyl-1-octanol 199.75
    1-chlorooctane 135.4
    1-chlorotetradecane 62.8
    n-nonane 33.31
    undecane 27.76
    tert-butylcyclohexane 61.2
    cyclooctane 50.93
    cyclopentanol 411.62
    tetrahydropyran 910.9
    tert-amyl methyl ether 335.81
    2,5,8-trioxanonane 634.98
    1-hexene 152.79
    2-isopropoxyethanol 362.28
    2,2,2-trifluoroethanol 438.78
    methyl butyrate 444.62

    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
Pelargonium citronellum Pelargonium citronellum J.J.A. v.d. Walt, fam. Geraniaceae 0.7%
Lemon verbena (Turkey) Aloysia triphylla (L'Herit.) Britton, fam. Verbenaceae 0.12%