Paraldehyde

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    123-63-7

    Molecular formula
    C6H12O3

    SMILES
    CC1OC(OC(O1)C)C

    Safety labels

    Flammable
    Flammable

    Retention indicies (RI)

    • Carbowax: 1069.0

  • Odor profile

    Fragrance
    Fruity 83.13%
    Sweet 74.42%
    Ethereal 53.7%
    Green 45.94%
    Rummy 36.44%
    Musty 34.01%
    Fresh 30.79%
    Aromatic 27.04%
    Winey 26.43%
    Pungent 24.56%

     

    Flavor
    Green 67.0%
    Vegetable 48.95%
    Sweet 44.26%
    Earthy 43.78%
    Nutty 37.63%
    Musty 31.19%
    Potato 29.77%
    Caramel 24.28%
    Peanut 23.72%
    Raw 23.47%

     

    Odor impact est.
    High

    Odor threshold

    • 0.02-0.025 mg/cu m (recognition)

  • Properties

    XLogP3-AA
    0.7

    pKa est.
    6.84 (neutral)

    Molecular weight
    132.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • 54.7 °F (NTP, 1992)
    • 12 undefined
    • 12.6 °C

    Boiling point

    • 262 °F at 760 mmHg (NTP, 1992)
    • 124 undefined
    • 124.5 °C
    • 123.00 to 124.00 °C. @ 760.00 mm Hg

    Flash point

    • 24.23 ˚C est.
    • 96 °F (NTP, 1992)
    • 96 °F (OPEN CUP)
    • 24 °C c.c.

    Solubility expt.

    • Sparingly soluble (NTP, 1992)
    • 125g/L
    • SOL IN 8 PARTS WATER AT 25 °C; 17 PARTS BOILING WATER
    • Sol in water: 1 in 9 parts at 20 °C, 1 in 10 parts at 30 °C, & 1 in 11.5 parts at 37 °C
    • Sol in sodium chloride solution: 1 in 9.5 parts at 20 °C, 1 in 11 parts at 30 °C, & 1 in 12.5 parts at 37 °C
    • MISCIBLE WITH ALC, CHLOROFORM, ETHER, OILS
    • water solubility = 12g/100 g water at 13 degC
    • 112 mg/mL at 30 °C
    • Solubility in water, g/100ml at 13 °C: 12

  • Synonyms

    • PARALDEHYDE
    • 2,4,6-Trimethyl-1,3,5-trioxane
    • 123-63-7
    • Paracetaldehyde
    • Paral
    • Acetaldehyde trimer
    • Paraldehyd
    • Elaldehyde
    • Paraacetaldehyde
    • s-Trimethyltrioxymethylene
    • Triacetaldehyde
    • Paraldeide
    • 2,4,6-Trimethyl-s-trioxane
    • p-Acetaldehyde
    • 1,3,5-Trioxane, 2,4,6-trimethyl-
    • Acetaldehyde, trimer
    • 1,3,5-Trimethyl-2,4,6-trioxane
    • NSC 9799
    • Paraldehyd [German]
    • 2,4,6-Trimethyl-1,3,5-trioxacyclohexane
    • PCHO
    • RCRA waste number U182
    • Paraldeide [Italian]
    • Triacetaldehyde [French]
    • Paraldehyde Enema (BPC 1973)
    • Paraldehyde (USP)
    • Paraldehyde [USP]
    • Paraldehyde Draught (BPC 1973)
    • Paral (TN)
    • 2,4,6-Trimethyl-1,3,5-trioxaan
    • 2,4,6-Trimetil-1,3,5-triossano
    • Paraldehyde civ
    • HSDB 3375
    • s-Trioxane, 2,4,6-trimethyl-
    • S6M3YBG8QA
    • Trimethyl trioxane
    • NSC-9799
    • EINECS 204-639-8
    • UN1264
    • BRN 0080142
    • cis-2,4,6-Trimethyl-1,3,5-trioxane
    • DTXSID9023419
    • FEMA NO. 4010
    • CHEBI:27909
    • AI3-03115
    • 2,4,6-Trimethyl-1,3,5-trioxaan [Dutch]
    • 2,4,6-Trimetil-1,3,5-triossano [Italian]
    • PARALDEHYDE [MI]
    • 2,4,6-Trimethyl-1,3,5-trioxan
    • MFCD00036208
    • PARALDEHYDE [FHFI]
    • PARALDEHYDE [HSDB]
    • PARALDEHYDE [VANDF]
    • PARALDEHYDE [MART.]
    • PARALDEHYDE [WHO-DD]
    • DTXCID003419
    • PARALDEHYDE CIV [USP-RS]
    • EC 204-639-8
    • PARALDEHYDE [EP MONOGRAPH]
    • PARALDEHYDE [USP MONOGRAPH]
    • 5-19-09-00112 (Beilstein Handbook Reference)
    • 1499-02-1
    • NCGC00159367-02
    • NCGC00159367-03
    • NCGC00159367-04
    • PARALDEHYDE (MART.)
    • Paraldehyde [USAN]
    • PARALDEHYDE CIV (USP-RS)
    • PARALDEHYDE (EP MONOGRAPH)
    • PARALDEHYDE (USP MONOGRAPH)
    • CAS-123-63-7
    • 2,4,6-TRIMETHYL-1,3,5-TRIOXAAN (DUTCH)
    • UNII-S6M3YBG8QA
    • 2,4,6-TRIMETIL-1,3,5-TRIOSSANO (ITALIAN)
    • RCRA waste no. U182
    • pAcetaldehyde
    • DEA No. 2585
    • Paraldehyde; 2,4,6-Trimethyl-1,3,5-trioxane; cyclic trimer of acetaldehyde
    • Aldehyde (para)
    • Paraldehyd(german)
    • Metaldehyde metabolite
    • s-Trimethyltrioxymethane
    • sTrimethyltrioxymethylene
    • Paraldehyde, >=97%
    • Paraldehyde [UN1264] [Flammable liquid]
    • 2,4,6Trimethylstrioxane
    • 2,6-Trimethyl-s-trioxane
    • s-Trioxane,4,6-trimethyl-
    • SCHEMBL22870
    • 1,3,5Trimethyl2,4,6trioxane
    • 2,4,6Trimethyl1,3,5trioxaan
    • 2,4,6Trimethyl1,3,5trioxane
    • 2,4,6Trimetil1,3,5triossano
    • CHEMBL1410743
    • SCHEMBL20072682
    • NSC9799
    • 1,5-Trimethyl-2,4,6-trioxane
    • 2,6-Trimethyl-1,3,5-trioxaan
    • 2,6-Trimethyl-1,3,5-trioxane
    • 2,6-Trimetil-1,3,5-triossano
    • DTXSID301271154
    • Paraldehyde, >=97.0% (GC)
    • 1,3,5Trioxane, 2,4,6trimethyl
    • Tox21_111607
    • Tox21_111608
    • Tox21_301299
    • 1,5-Trioxane, 2,4,6-trimethyl-
    • BBL011471
    • STL146583
    • AKOS000120195
    • Tox21_111607_1
    • 2,4,6Trimethyl1,3,5trioxacyclohexane
    • DB09117
    • UN 1264
    • WLN: T6O CO EOTJ B1 D1 F1
    • 2,6-Trimethyl-1,3,5-trioxacyclohexane
    • NCGC00257534-01
    • VS-02956
    • NS00006360
    • P0019
    • Paraldehyde [UN1264] [Flammable liquid]
    • Paraldehyde, Lonza quality, >=99.5% (GC)
    • C07834
    • D00705
    • A805128
    • Q424342
    • F1908-0170
    • (2I+/-,4I+/-,6I+/-)-2,4,6-Trimethyl-1,3,5-trioxane

  • Applications

    Paraldehyde is an older pharmaceutical agent historically used as a sedative and hypnotic; today its medical use is limited and tightly regulated due to safety concerns. In industry, it has been employed as a niche solvent and as a chemical intermediate for acetaldehyde-derived processes, particularly in legacy formulations or specialty syntheses. It may also be evaluated as a reagent in acetal formation and as a source of acetaldehyde units in selective organic syntheses, though its handling hazards and regulatory constraints restrict its application. Overall, its contemporary applications are largely historical or highly specialized, with cross-industry use in non-medical domains being minimal and subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 116.82
    methanol 194.24
    isopropanol 86.4
    water 26.77
    ethyl acetate 234.1
    n-propanol 92.16
    acetone 241.19
    n-butanol 76.41
    acetonitrile 229.29
    DMF 339.23
    toluene 112.86
    isobutanol 69.75
    1,4-dioxane 273.15
    methyl acetate 226.42
    THF 378.09
    2-butanone 172.26
    n-pentanol 46.69
    sec-butanol 88.19
    n-hexane 36.03
    ethylene glycol 64.6
    NMP 604.32
    cyclohexane 57.48
    DMSO 356.67
    n-butyl acetate 89.68
    n-octanol 44.59
    chloroform 554.72
    n-propyl acetate 91.61
    acetic acid 379.25
    dichloromethane 624.79
    cyclohexanone 257.47
    propylene glycol 53.47
    isopropyl acetate 117.43
    DMAc 400.22
    2-ethoxyethanol 104.38
    isopentanol 56.7
    n-heptane 20.4
    ethyl formate 134.12
    1,2-dichloroethane 306.73
    n-hexanol 47.78
    2-methoxyethanol 212.75
    isobutyl acetate 54.69
    tetrachloromethane 113.28
    n-pentyl acetate 70.93
    transcutol 213.5
    n-heptanol 28.06
    ethylbenzene 54.85
    MIBK 65.74
    2-propoxyethanol 114.51
    tert-butanol 103.87
    MTBE 106.91
    2-butoxyethanol 56.57
    propionic acid 195.54
    o-xylene 93.77
    formic acid 193.72
    diethyl ether 147.96
    m-xylene 74.62
    p-xylene 83.44
    chlorobenzene 165.84
    dimethyl carbonate 94.1
    n-octane 10.45
    formamide 233.26
    cyclopentanone 346.53
    2-pentanone 123.26
    anisole 109.88
    cyclopentyl methyl ether 182.72
    gamma-butyrolactone 546.97
    1-methoxy-2-propanol 140.88
    pyridine 245.03
    3-pentanone 146.4
    furfural 434.09
    n-dodecane 9.83
    diethylene glycol 107.05
    diisopropyl ether 46.72
    tert-amyl alcohol 98.18
    acetylacetone 211.96
    n-hexadecane 11.11
    acetophenone 113.18
    methyl propionate 193.26
    isopentyl acetate 73.74
    trichloroethylene 535.67
    n-nonanol 41.11
    cyclohexanol 111.26
    benzyl alcohol 74.73
    2-ethylhexanol 39.09
    isooctanol 25.73
    dipropyl ether 68.22
    1,2-dichlorobenzene 171.9
    ethyl lactate 52.49
    propylene carbonate 249.54
    n-methylformamide 204.76
    2-pentanol 55.6
    n-pentane 30.57
    1-propoxy-2-propanol 76.53
    1-methoxy-2-propyl acetate 113.38
    2-(2-methoxypropoxy) propanol 86.21
    mesitylene 50.43
    ε-caprolactone 269.75
    p-cymene 37.6
    epichlorohydrin 390.91
    1,1,1-trichloroethane 305.75
    2-aminoethanol 82.67
    morpholine-4-carbaldehyde 390.48
    sulfolane 542.04
    2,2,4-trimethylpentane 19.55
    2-methyltetrahydrofuran 285.02
    n-hexyl acetate 102.91
    isooctane 9.29
    2-(2-butoxyethoxy)ethanol 84.99
    sec-butyl acetate 66.44
    tert-butyl acetate 103.49
    decalin 28.14
    glycerin 101.07
    diglyme 185.05
    acrylic acid 206.73
    isopropyl myristate 49.32
    n-butyric acid 170.21
    acetyl acetate 225.62
    di(2-ethylhexyl) phthalate 48.16
    ethyl propionate 115.76
    nitromethane 585.46
    1,2-diethoxyethane 90.68
    benzonitrile 118.33
    trioctyl phosphate 31.63
    1-bromopropane 165.25
    gamma-valerolactone 401.83
    n-decanol 31.01
    triethyl phosphate 65.6
    4-methyl-2-pentanol 29.54
    propionitrile 133.55
    vinylene carbonate 248.85
    1,1,2-trichlorotrifluoroethane 262.27
    DMS 144.51
    cumene 42.89
    2-octanol 26.8
    2-hexanone 71.67
    octyl acetate 60.79
    limonene 54.93
    1,2-dimethoxyethane 187.83
    ethyl orthosilicate 58.78
    tributyl phosphate 47.16
    diacetone alcohol 86.09
    N,N-dimethylaniline 86.78
    acrylonitrile 177.06
    aniline 126.61
    1,3-propanediol 97.0
    bromobenzene 177.65
    dibromomethane 389.05
    1,1,2,2-tetrachloroethane 373.71
    2-methyl-cyclohexyl acetate 75.68
    tetrabutyl urea 59.54
    diisobutyl methanol 27.33
    2-phenylethanol 59.73
    styrene 67.01
    dioctyl adipate 80.03
    dimethyl sulfate 199.45
    ethyl butyrate 88.62
    methyl lactate 87.73
    butyl lactate 47.11
    diethyl carbonate 72.73
    propanediol butyl ether 50.97
    triethyl orthoformate 67.35
    p-tert-butyltoluene 39.04
    methyl 4-tert-butylbenzoate 104.11
    morpholine 263.17
    tert-butylamine 77.18
    n-dodecanol 25.41
    dimethoxymethane 177.51
    ethylene carbonate 200.39
    cyrene 92.74
    2-ethoxyethyl acetate 110.24
    2-ethylhexyl acetate 69.38
    1,2,4-trichlorobenzene 214.65
    4-methylpyridine 221.66
    dibutyl ether 65.09
    2,6-dimethyl-4-heptanol 27.33
    DEF 188.15
    dimethyl isosorbide 176.66
    tetrachloroethylene 264.78
    eugenol 73.87
    triacetin 146.18
    span 80 67.72
    1,4-butanediol 35.84
    1,1-dichloroethane 285.85
    2-methyl-1-pentanol 44.46
    methyl formate 176.61
    2-methyl-1-butanol 68.64
    n-decane 15.65
    butyronitrile 108.05
    3,7-dimethyl-1-octanol 43.34
    1-chlorooctane 45.55
    1-chlorotetradecane 22.88
    n-nonane 15.63
    undecane 11.87
    tert-butylcyclohexane 23.52
    cyclooctane 22.2
    cyclopentanol 144.29
    tetrahydropyran 205.91
    tert-amyl methyl ether 104.24
    2,5,8-trioxanonane 145.07
    1-hexene 58.01
    2-isopropoxyethanol 69.31
    2,2,2-trifluoroethanol 191.96
    methyl butyrate 120.14

    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
Carob bean extract 1 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.3%