7-Dehydrocholesterol

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  • Identifiers

    CAS number
    434-16-2

    Molecular formula
    C27H44O

    SMILES
    C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 78.5%
    Sandalwood 50.38%
    Amber 42.32%
    Balsamic 41.21%
    Spicy 38.4%
    Dry 37.13%
    Waxy 32.89%
    Sweet 32.04%
    Vetiver 31.33%
    Cedar 30.72%

     

    Flavor
    Woody 51.97%
    Wood 43.82%
    Herb 38.33%
    Spice 37.82%
    Herbal 36.14%
    Waxy 25.52%
    Terpene 23.68%
    Pine 23.39%
    Fir needle 23.31%
    Turpentine 22.66%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    8.0

    pKa est.
    7.74 (neutral)

    Molecular weight
    384.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    501°C

    Melting point expt.

    • 150.5 °C

    Flash point

    • 213.74 ˚C est.

    Solubility expt.

    • 1 mg/mL

  • Synonyms

    • 7-Dehydrocholesterol
    • 434-16-2
    • Provitamin D3
    • Cholesta-5,7-dien-3beta-ol
    • 7,8-Didehydrocholesterol
    • (3beta)-Cholesta-5,7-dien-3-ol
    • 7-DHC
    • 5,7-Cholestadien-3-beta-ol
    • BK1IU07GKF
    • (3S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
    • cholesta-5,7-dien-3 beta-ol
    • DTXSID20861933
    • CHEBI:17759
    • NSC-18159
    • Cholesta-5,7-dien-3-ol, (3beta)-
    • provitamin D(3)
    • (3S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-((2R)-6-methylheptan-2-yl)-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta(a)phenanthren-3-ol
    • 10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta(a)phenanthren-3-ol
    • 10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
    • RefChem:105986
    • DTXCID40824287
    • 207-100-5
    • Dehydrocholesterol
    • 7-Dehydrocholesterin
    • Dehydrocholesterin
    • delta7-Cholesterol
    • delta5,7-Cholesterol
    • (3beta)-7-Dehydro Cholesterol
    • Cholesta-5,7-dien-3-ol
    • MFCD00003624
    • 5,7-Cholestandien-3beta-ol
    • 7-dehydro-cholesterol
    • NSC 18159
    • (3S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)-2,3,4,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
    • (3b)-7-Dehydro Cholesterol
    • Cholesterol, 7-dehydro-
    • Cholesta-5,7-dien-3-beta-ol
    • (-)-7-Dehydrocholesterol
    • 7-Dehydrocholesterol (Provitamin D3)
    • 5,7-Cholestadien-3?-ol
    • 3?-Hydroxy-5,7-cholestadiene
    • Cholesta-5,7-dien-3.beta.-ol
    • Cholesta-5,7-dien-3beta-ol (7,8-Didehydrocholesterol; Provitamin D3)
    • Cholesta-5,7-dien-3-ol, (3.beta.)-
    • Cholecalciferol EP Impurity B
    • Provitamin D(sub 3)
    • Caswell No. 902E
    • 7DHC
    • Cholesta-5,7-dien-3-ol #
    • UNII-BK1IU07GKF
    • Cholesta-5,7-dien-3-ol, (3b)-
    • delta(sup 7)-Cholesterol
    • Dehydrocholesterin [German]
    • 5,7-Cholestadien-3-.beta.-ol
    • delta(sup 5,7)-Cholesterol
    • provitamin-D3
    • .DELTA.5,7-Cholestadien-3.beta.-ol
    • (3S,9S,10R,13R,14R,17R)-10,13-Dimethyl-17-[(R)-6-methylheptan-2-yl]-2,3,4,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
    • EINECS 207-100-5
    • EPA Pesticide Chemical Code 208700
    • 7,8-dehydro-cholesterol
    • (3-BETA)-CHOLESTA-5,7-DIEN-3-OL
    • 5,7-Cholestandien-3-ol
    • EC 207-100-5
    • cholesta-5,7-dien-3b-ol
    • SCHEMBL3447
    • 5,7-cholestadien-3beta-ol
    • orb1302447
    • 7-Dehydrocholesterol (Standard)
    • CHEMBL1797131
    • cholesta-5,7-dien-3 beta -ol
    • Delta5,7-Cholestadien-3beta-ol
    • 7-Dehydrocholesterol - min 95%
    • (3b)-Cholesta-5,7-dien-3-ol
    • GLXC-05961
    • 7-dehydrocholesterol (high purity)
    • MSK14627
    • (3|A)-Cholesta-5,7-dien-3-ol
    • (3|_)-Cholesta-5,7-dien-3-ol
    • LMST01010069
    • s5386
    • 5,7-Cholestadien-3beta-ol monohydrate
    • CCG-268465
    • EBC-616097
    • FD20900
    • HY-113279R
    • Cholesta-5,7-dien-3-ol, (3-beta)-
    • (1R,3aR,7S,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-1H,2H,3H,3aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-ol
    • AS-59257
    • FD165801
    • SY271209
    • 7-Dehydrocholesterol, >=95.0% (HPLC)
    • HY-113279
    • CS-0059496
    • (3.BETA.)-7-DEHYDROCHOLESTEROL [MI]
    • C01164
    • F20429
    • CHOLECALCIFEROL IMPURITY B [EP IMPURITY]
    • F868697
    • Q139350
    • 9.BETA.,10.ALPHA.-CHOLESTA-5,7-DIEN-3.BETA.-OL
    • (3S,9S,10R,13R,14R,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
    • 17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
    • 434-16-2

  • Applications

    7-Dehydrocholesterol (CAS 434-16-2) is primarily used as a steroidal building block and key precursor for the production of vitamin D3 (cholecalciferol) via photochemical conversion, supporting nutraceutical and fortified-food applications. In industrial manufacturing, it serves as a sterol building block for related steroid compounds. In research and development, it is employed as a substrate to study vitamin D3 synthesis and as an analytical reference standard for photochemical or spectroscopic analysis. Its use is typically subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 22.7
    methanol 3.85
    isopropanol 22.01
    water 0.03
    ethyl acetate 41.87
    n-propanol 30.12
    acetone 35.42
    n-butanol 43.68
    acetonitrile 4.19
    DMF 19.63
    toluene 115.16
    isobutanol 26.51
    1,4-dioxane 91.61
    methyl acetate 19.02
    THF 164.28
    2-butanone 45.85
    n-pentanol 25.32
    sec-butanol 16.34
    n-hexane 6.28
    ethylene glycol 0.5
    NMP 35.94
    cyclohexane 14.85
    DMSO 9.14
    n-butyl acetate 63.47
    n-octanol 21.76
    chloroform 103.94
    n-propyl acetate 33.7
    acetic acid 7.15
    dichloromethane 60.9
    cyclohexanone 86.56
    propylene glycol 1.52
    isopropyl acetate 58.0
    DMAc 44.15
    2-ethoxyethanol 27.07
    isopentanol 46.43
    n-heptane 9.54
    ethyl formate 9.66
    1,2-dichloroethane 44.35
    n-hexanol 43.88
    2-methoxyethanol 26.7
    isobutyl acetate 43.91
    tetrachloromethane 20.11
    n-pentyl acetate 63.29
    transcutol 240.46
    n-heptanol 32.92
    ethylbenzene 36.94
    MIBK 63.59
    2-propoxyethanol 79.16
    tert-butanol 21.59
    MTBE 53.84
    2-butoxyethanol 63.79
    propionic acid 8.15
    o-xylene 49.84
    formic acid 1.33
    diethyl ether 79.11
    m-xylene 73.63
    p-xylene 38.9
    chlorobenzene 55.19
    dimethyl carbonate 12.7
    n-octane 2.59
    formamide 2.16
    cyclopentanone 75.55
    2-pentanone 62.1
    anisole 62.76
    cyclopentyl methyl ether 88.67
    gamma-butyrolactone 43.43
    1-methoxy-2-propanol 37.24
    pyridine 74.19
    3-pentanone 47.39
    furfural 35.87
    n-dodecane 1.53
    diethylene glycol 19.14
    diisopropyl ether 33.51
    tert-amyl alcohol 16.69
    acetylacetone 59.01
    n-hexadecane 1.91
    acetophenone 48.63
    methyl propionate 31.85
    isopentyl acetate 85.96
    trichloroethylene 82.18
    n-nonanol 27.18
    cyclohexanol 33.53
    benzyl alcohol 30.62
    2-ethylhexanol 38.23
    isooctanol 33.03
    dipropyl ether 66.06
    1,2-dichlorobenzene 49.17
    ethyl lactate 14.18
    propylene carbonate 28.19
    n-methylformamide 5.13
    2-pentanol 28.32
    n-pentane 8.97
    1-propoxy-2-propanol 73.53
    1-methoxy-2-propyl acetate 98.49
    2-(2-methoxypropoxy) propanol 62.34
    mesitylene 43.14
    ε-caprolactone 73.27
    p-cymene 33.98
    epichlorohydrin 67.33
    1,1,1-trichloroethane 49.42
    2-aminoethanol 2.81
    morpholine-4-carbaldehyde 56.84
    sulfolane 37.25
    2,2,4-trimethylpentane 4.85
    2-methyltetrahydrofuran 90.16
    n-hexyl acetate 64.93
    isooctane 5.46
    2-(2-butoxyethoxy)ethanol 89.49
    sec-butyl acetate 39.61
    tert-butyl acetate 71.46
    decalin 7.75
    glycerin 3.23
    diglyme 148.96
    acrylic acid 5.13
    isopropyl myristate 30.64
    n-butyric acid 31.12
    acetyl acetate 30.6
    di(2-ethylhexyl) phthalate 30.56
    ethyl propionate 33.26
    nitromethane 10.16
    1,2-diethoxyethane 94.94
    benzonitrile 27.85
    trioctyl phosphate 21.31
    1-bromopropane 47.63
    gamma-valerolactone 106.07
    n-decanol 18.56
    triethyl phosphate 29.35
    4-methyl-2-pentanol 29.67
    propionitrile 12.86
    vinylene carbonate 25.34
    1,1,2-trichlorotrifluoroethane 29.48
    DMS 34.07
    cumene 27.16
    2-octanol 19.45
    2-hexanone 40.48
    octyl acetate 33.57
    limonene 38.9
    1,2-dimethoxyethane 63.89
    ethyl orthosilicate 36.38
    tributyl phosphate 21.56
    diacetone alcohol 49.28
    N,N-dimethylaniline 45.41
    acrylonitrile 9.1
    aniline 54.81
    1,3-propanediol 12.65
    bromobenzene 71.31
    dibromomethane 52.49
    1,1,2,2-tetrachloroethane 69.2
    2-methyl-cyclohexyl acetate 58.24
    tetrabutyl urea 31.5
    diisobutyl methanol 28.95
    2-phenylethanol 55.45
    styrene 39.59
    dioctyl adipate 42.16
    dimethyl sulfate 15.45
    ethyl butyrate 54.15
    methyl lactate 11.11
    butyl lactate 40.65
    diethyl carbonate 31.56
    propanediol butyl ether 31.79
    triethyl orthoformate 57.39
    p-tert-butyltoluene 33.15
    methyl 4-tert-butylbenzoate 66.44
    morpholine 90.24
    tert-butylamine 19.5
    n-dodecanol 12.72
    dimethoxymethane 56.01
    ethylene carbonate 25.84
    cyrene 42.25
    2-ethoxyethyl acetate 90.49
    2-ethylhexyl acetate 73.29
    1,2,4-trichlorobenzene 60.88
    4-methylpyridine 80.42
    dibutyl ether 38.08
    2,6-dimethyl-4-heptanol 28.95
    DEF 44.52
    dimethyl isosorbide 98.89
    tetrachloroethylene 46.4
    eugenol 59.51
    triacetin 61.88
    span 80 49.98
    1,4-butanediol 3.96
    1,1-dichloroethane 42.83
    2-methyl-1-pentanol 30.76
    methyl formate 3.86
    2-methyl-1-butanol 37.25
    n-decane 3.88
    butyronitrile 22.64
    3,7-dimethyl-1-octanol 30.48
    1-chlorooctane 17.35
    1-chlorotetradecane 5.68
    n-nonane 3.17
    undecane 2.29
    tert-butylcyclohexane 6.68
    cyclooctane 6.35
    cyclopentanol 19.37
    tetrahydropyran 127.76
    tert-amyl methyl ether 36.09
    2,5,8-trioxanonane 89.4
    1-hexene 18.97
    2-isopropoxyethanol 31.54
    2,2,2-trifluoroethanol 3.49
    methyl butyrate 34.51

    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