Pantothenic Acid

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  • Identifiers

    CAS number
    79-83-4

    Molecular formula
    C9H17NO5

    SMILES
    CC(C)(CO)[C@H](C(=O)NCCC(=O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 60.7%
    Savory 34.92%
    Cooling 30.22%
    Milky 24.55%
    Sweet 23.12%
    Meaty 22.35%
    Mint 19.97%
    Buttery 17.5%
    Alcoholic 16.48%
    Creamy 15.83%

     

    Flavor
    Odorless 58.56%
    Very mild 28.86%
    Mild 27.03%
    Bland 26.87%
    Sweet-like 24.02%
    Fruity 22.76%
    Yeast 21.03%
    Sour 20.83%
    Bitter 19.96%
    Very slight 19.21%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -1.1

    pKa est.
    6.3 (neutral)

    Molecular weight
    219.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    466°C

    Melting point expt.

    • 195ºC (D-Calcium Pantothenate salt)
    • MELTING POINT: 170-172 °C /CA SALT/
    • < 25 °C

    Flash point

    • 225.37 ˚C est.

    Solubility expt.

    • Soluble
    • Very soluble in water, benzene, ethyl ether
    • Freely soluble in water, ethyl acetate, dioxane, glacial acetic acid; Moderately soluble in ether, amyl alcohol. Practically insoluble in benzene, chloroform.
    • 1000.0 mg/mL

  • Synonyms

    • pantothenic acid
    • D-pantothenic acid
    • 79-83-4
    • vitamin B5
    • Chick antidermatitis factor
    • (+)-Pantothenic acid
    • Vitamin B-5
    • Kyselina pantothenova
    • D(+)-N-(2,4-Dihydroxy-3,3-dimethylbutyryl)-beta-alanine
    • Pantothenic acid (d)
    • 3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid
    • beta-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, (R)-
    • N-(2,4-Dihydroxy-3,3-dimethylbutyryl)-beta-alanine
    • (D,+)-N(alpha-gamma-Dihydroxy-beta,beta-dimethylbutyryl)-beta-alanine
    • 19F5HK2737
    • DTXSID9023417
    • CHEBI:46905
    • B 5, Vitamin
    • CHEBI:7916
    • Cantopal
    • Calc pantoth
    • 3-(((2R)-2,4-dihydroxy-3,3-dimethylbutanoyl)amino)propanoic acid
    • 3-(((2R)-3,3-dimethyl-2,4-bis(oxidanyl)butanoyl)amino)propanoic acid
    • 3-[[(2R)-3,3-dimethyl-2,4-bis(oxidanyl)butanoyl]amino]propanoic acid
    • Pantothenate, Zinc
    • B5, Vitamin
    • Vitamin B 5
    • Pantothenate, Calcium
    • PureVita Vitamin B5
    • RefChem:6101
    • DTXCID203417
    • CHEBI:176840
    • beta-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-,(R)-
    • 201-229-0
    • 3-(2,4-dihydroxy-3,3-dimethylbutanamido)propanoic acid
    • beta-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-
    • PANTOTHENOIC ACID
    • (D)-(+)-Pantothenic acid
    • Kyselina pantothenova [Czech]
    • HSDB 1020
    • Pantothenic Acid [BAN]
    • (R)-pantothenic acid
    • BRN 1727064
    • N-[(2R)-2,4-Dihydroxy-3,3-dimethyl-1-oxobutyl]-beta-alanine
    • N-[(2R)-2,4-DIHYDROXY-3,3-DIMETHYLBUTANOYL]-BETA-ALANINE
    • MFCD00020513
    • 3-[(2R)-2,4-dihydroxy-3,3-dimethylbutanamido]propanoic acid
    • Pantothenic acid (BAN)
    • (+)-Pantothenate
    • (+)-(R)-3-(2,4-Dihydroxy-3,3-dimethylbutanamido)propanoic acid
    • 3-[[(2R)-2,4-dihydroxy-3,3-dimethyl-butanoyl]amino]propanoic acid
    • Pantothenic acid, D-
    • (R)-N-(2,4-Dihydroxy-3,3-dimethyl-1-oxobutyl)-beta-alanine
    • N-[(2R)-2,4-Dihydroxy-3,3-dimethyl-1-oxobutyl]-ss-alanine
    • PAU
    • EINECS 201-229-0
    • Pantothenic Acid (Technical Grade, Contains Lactone)
    • pantothenic-acid
    • UNII-19F5HK2737
    • delta-Pantothenate
    • delta-Pantothenic acid
    • D-(+)-pantothenic acid
    • (D)-(+)-Pantothenate
    • bmse000287
    • SCHEMBL5436
    • CHEMBL1594
    • VITAMIN B5 [VANDF]
    • 4-04-00-02569 (Beilstein Handbook Reference)
    • PANTOTHENIC ACID [MI]
    • Pantothenic acid, D- (8CI)
    • GTPL4668
    • orb1300732
    • Pantothenic acid (pantothenate)
    • PANTOTHENIC ACID [HSDB]
    • PANTOTHENIC ACID [VANDF]
    • ()-pantothenate;()-vitamin B5
    • PANTOTHENIC ACID [MART.]
    • VITAMIN B5 [GREEN BOOK]
    • PANTOTHENIC ACID [WHO-DD]
    • HMS2090P08
    • HMS3656K08
    • HY-B0430
    • Pantothenic acid, (*Calcium salt*)
    • .beta.-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, (R)-
    • .beta.-Alanine, N-[(2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl]-
    • EBC-26228
    • D-Pantothenic acid - Technical grade
    • AKOS016010488
    • PANTOTHENIC ACID [ORANGE BOOK]
    • DB01783
    • MSK001412-100W
    • NCGC00183031-08
    • NCGC00346610-01
    • AS-75446
    • FP145946
    • SY046441
    • SBI-0206933.P001
    • NS00069969
    • SW220291-1
    • C00864
    • D07413
    • E83797
    • EN300-113766
    • D-Pantothenic acid Solution in Water, 100ug/mL
    • BRD-K29392254-001-02-2
    • BRD-K29392254-001-03-0
    • BRD-K29392254-236-01-6
    • Q63390527
    • D(+)-N-(2,4-Dihydroxy-3,3-dimethylbutyryl)-b-alanine
    • (R)-3-(2,4-Dihydroxy-3,3-dimethylbutanamido)propionic Acid
    • 450B5472-A689-4BCA-9BC1-58691B72D00F
    • N-[(2R)-2,4-Dihydroxy-3,3-dimethyl-1-oxobutyl]-|_-alanine
    • N-[(2R)-2,4-Dihydroxy-3,3-dimethyl-1-oxobutyl]-|A-alanine
    • 3-((R)-2,4-Dihydroxy-3,3-dimethyl-butyrylamino)-propionic acid
    • 3-[[(2R)-2,4-dihydroxy-3,3-dimethyl-butanoyl]amino]propionic acid
    • beta-Alanine, N-[(2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl]-
    • b-Alanine, N-[(2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl]- (9CI)
    • beta-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, (R)- (9CI)
    • N-((2R)-2,4-DIHYDROXY-3,3-DIMETHYL-1-OXOBUTYL)-.BETA.-ALANINE
    • 79-83-4

  • Applications

    Pantothenic acid (CAS 79-83-4) is used mainly as a vitamin ingredient in dietary supplements and pharmaceuticals, providing vitamin B5 for people and animals. It is commonly added to animal feeds to enhance nutrition for livestock and pets, and it is used in food processing to fortify products with vitamins. In cosmetics and personal care, pantothenic acid may be included as a vitamin additive in topical formulations, with related derivatives such as panthenol often preferred. In the manufacture of vitamins and nutraceuticals, pantothenic acid serves as a feedstock or intermediate for vitamin preparations and supplement products. These applications are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 28.33
    methanol 132.05
    isopropanol 10.11
    water 310.59
    ethyl acetate 1.26
    n-propanol 13.71
    acetone 3.66
    n-butanol 7.88
    acetonitrile 1.08
    DMF 177.31
    toluene 0.49
    isobutanol 8.47
    1,4-dioxane 9.43
    methyl acetate 1.15
    THF 20.35
    2-butanone 2.86
    n-pentanol 4.48
    sec-butanol 9.26
    n-hexane 0.46
    ethylene glycol 145.86
    NMP 176.23
    cyclohexane 0.67
    DMSO 253.82
    n-butyl acetate 0.89
    n-octanol 2.77
    chloroform 0.96
    n-propyl acetate 0.99
    acetic acid 70.54
    dichloromethane 0.87
    cyclohexanone 10.61
    propylene glycol 130.98
    isopropyl acetate 1.31
    DMAc 114.01
    2-ethoxyethanol 40.82
    isopentanol 6.75
    n-heptane 0.52
    ethyl formate 2.98
    1,2-dichloroethane 1.03
    n-hexanol 5.27
    2-methoxyethanol 131.03
    isobutyl acetate 0.67
    tetrachloromethane 0.63
    n-pentyl acetate 1.27
    transcutol 33.94
    n-heptanol 4.6
    ethylbenzene 0.59
    MIBK 4.64
    2-propoxyethanol 23.42
    tert-butanol 19.87
    MTBE 2.49
    2-butoxyethanol 13.86
    propionic acid 16.62
    o-xylene 1.23
    formic acid 496.3
    diethyl ether 1.45
    m-xylene 1.09
    p-xylene 0.75
    chlorobenzene 0.32
    dimethyl carbonate 3.4
    n-octane 0.31
    formamide 272.19
    cyclopentanone 15.32
    2-pentanone 3.51
    anisole 1.58
    cyclopentyl methyl ether 6.6
    gamma-butyrolactone 20.08
    1-methoxy-2-propanol 60.08
    pyridine 2.63
    3-pentanone 2.54
    furfural 21.53
    n-dodecane 0.15
    diethylene glycol 63.56
    diisopropyl ether 0.79
    tert-amyl alcohol 17.93
    acetylacetone 6.26
    n-hexadecane 0.17
    acetophenone 3.39
    methyl propionate 3.12
    isopentyl acetate 1.31
    trichloroethylene 1.9
    n-nonanol 2.72
    cyclohexanol 10.89
    benzyl alcohol 4.84
    2-ethylhexanol 2.47
    isooctanol 3.68
    dipropyl ether 1.49
    1,2-dichlorobenzene 0.62
    ethyl lactate 6.18
    propylene carbonate 7.85
    n-methylformamide 71.4
    2-pentanol 4.89
    n-pentane 0.45
    1-propoxy-2-propanol 11.19
    1-methoxy-2-propyl acetate 3.95
    2-(2-methoxypropoxy) propanol 15.15
    mesitylene 1.1
    ε-caprolactone 10.23
    p-cymene 0.86
    epichlorohydrin 9.37
    1,1,1-trichloroethane 0.61
    2-aminoethanol 155.89
    morpholine-4-carbaldehyde 92.92
    sulfolane 94.04
    2,2,4-trimethylpentane 0.39
    2-methyltetrahydrofuran 7.0
    n-hexyl acetate 2.21
    isooctane 0.27
    2-(2-butoxyethoxy)ethanol 19.87
    sec-butyl acetate 0.79
    tert-butyl acetate 3.29
    decalin 0.33
    glycerin 283.41
    diglyme 27.97
    acrylic acid 25.59
    isopropyl myristate 0.91
    n-butyric acid 11.93
    acetyl acetate 1.07
    di(2-ethylhexyl) phthalate 2.9
    ethyl propionate 1.31
    nitromethane 25.83
    1,2-diethoxyethane 1.95
    benzonitrile 1.22
    trioctyl phosphate 2.3
    1-bromopropane 0.53
    gamma-valerolactone 44.53
    n-decanol 1.97
    triethyl phosphate 1.68
    4-methyl-2-pentanol 4.28
    propionitrile 1.11
    vinylene carbonate 5.87
    1,1,2-trichlorotrifluoroethane 44.52
    DMS 2.14
    cumene 0.79
    2-octanol 2.37
    2-hexanone 1.88
    octyl acetate 1.36
    limonene 1.47
    1,2-dimethoxyethane 23.16
    ethyl orthosilicate 1.55
    tributyl phosphate 1.87
    diacetone alcohol 23.09
    N,N-dimethylaniline 3.13
    acrylonitrile 2.16
    aniline 2.03
    1,3-propanediol 92.06
    bromobenzene 0.22
    dibromomethane 0.62
    1,1,2,2-tetrachloroethane 2.64
    2-methyl-cyclohexyl acetate 2.05
    tetrabutyl urea 3.85
    diisobutyl methanol 2.04
    2-phenylethanol 3.8
    styrene 0.42
    dioctyl adipate 1.88
    dimethyl sulfate 15.55
    ethyl butyrate 1.06
    methyl lactate 20.57
    butyl lactate 4.87
    diethyl carbonate 0.68
    propanediol butyl ether 22.84
    triethyl orthoformate 1.38
    p-tert-butyltoluene 0.96
    methyl 4-tert-butylbenzoate 7.97
    morpholine 21.02
    tert-butylamine 5.61
    n-dodecanol 1.44
    dimethoxymethane 25.24
    ethylene carbonate 3.89
    cyrene 36.36
    2-ethoxyethyl acetate 2.23
    2-ethylhexyl acetate 0.94
    1,2,4-trichlorobenzene 0.93
    4-methylpyridine 2.03
    dibutyl ether 0.89
    2,6-dimethyl-4-heptanol 2.04
    DEF 12.84
    dimethyl isosorbide 21.24
    tetrachloroethylene 2.78
    eugenol 10.11
    triacetin 4.43
    span 80 14.74
    1,4-butanediol 33.88
    1,1-dichloroethane 0.46
    2-methyl-1-pentanol 4.65
    methyl formate 31.49
    2-methyl-1-butanol 7.76
    n-decane 0.28
    butyronitrile 1.15
    3,7-dimethyl-1-octanol 2.81
    1-chlorooctane 0.63
    1-chlorotetradecane 0.28
    n-nonane 0.28
    undecane 0.2
    tert-butylcyclohexane 0.29
    cyclooctane 0.41
    cyclopentanol 16.27
    tetrahydropyran 3.77
    tert-amyl methyl ether 3.77
    2,5,8-trioxanonane 24.51
    1-hexene 0.71
    2-isopropoxyethanol 14.92
    2,2,2-trifluoroethanol 37.03
    methyl butyrate 2.31

    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