Acyclovir

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  • Identifiers

    CAS number
    59277-89-3

    Molecular formula
    C8H11N5O3

    SMILES
    C1=NC2=C(N1COCCO)N=C(NC2=O)N

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 67.67%
    Savory 22.68%
    Meaty 19.94%
    Cooked 19.11%
    Bitter 18.58%
    Roasted 17.83%
    Milky 16.52%
    Burnt 15.94%
    Nutty 15.46%
    Grape 15.3%

     

    Flavor
    Bitter 75.62%
    Odorless 48.53%
    Bland 27.16%
    Mild 25.79%
    Sweet-like 23.39%
    Very mild 22.17%
    Bread crust 20.12%
    Roasted peanuts 19.59%
    Taco 19.48%
    Yeast 19.31%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -1.9

    pKa est.
    7.57 (neutral)

    Molecular weight
    225.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 255 °C
    • 256.5-257 °C
    • MP: Decomposes
    • 256.5 - 257 °C

    Boiling point

    • 595

    Flash point

    • 309.66 ˚C est.

    Solubility expt.

    • 1.41mg/mL at 25°C
    • White crystalline powder. Maximum solubility in water (25 °C): >100 mg/mL /Acyclovir sodium salt/
    • In water, 1,620 mg/L at 25 °C
    • Soluble in diluted hydrochloric acid; slightly soluble in water; insoluble in alcohol
    • 0.2 mg/mL in alcohol
    • 9.08e+00 g/L

  • Synonyms

    • acyclovir
    • 59277-89-3
    • Aciclovir
    • Acycloguanosine
    • 9-[(2-Hydroxyethoxy)methyl]guanine
    • Virorax
    • Vipral
    • Wellcome-248U
    • Aciclovirum
    • Sitavig
    • Acicloftal
    • Gerpevir
    • Aciclovirum [Latin]
    • Cargosil
    • Novirus
    • BW-248U
    • 9-((2-Hydroxyethoxy)methyl)guanine
    • 2-amino-9-(2-hydroxyethoxymethyl)-1H-purin-6-one
    • Cyclovir
    • 2-Amino-1,9-dihydro-9-((2-hydroxyethoxy)methyl)-6H-purin-6-one
    • 2-Amino-1,9-dihydro-9-[(2-hydroxyethoxy)methyl]-6H-purin-6-one
    • 2-Amino-9-[(2-hydroxyethoxy)methyl]-1,9-dihydro-6H-purin-6-one
    • X4HES1O11F
    • NSC-645011
    • NSC-758477
    • AVACLYR
    • CHEBI:2453
    • DTXSID1022556
    • 6H-Purin-6-one, 2-amino-1,9-dihydro-9-[(2-hydroxyethoxy)methyl]-
    • NSC645011
    • 9-[(2-Hydroxyethoxy)-methyl]guanine
    • DTXCID102556
    • 2-amino-9-[(2-hydroxyethoxy)methyl]-6,9-dihydro-3H-purin-6-one
    • 6H-Purin-6-one, 2-amino-1,9-dihydro-9-((2-hydroxyethoxy)methyl)-
    • Aciclovirum (Latin)
    • 2-amino-9-((2-hydroxyethoxy)methyl)-1,9-dihydro-6H-purin-6-one
    • 9-((2-Hydroxyethoxy)-methyl)guanine
    • Aclovir
    • Clearsore
    • Duvimex
    • Lipsore
    • Ranovir
    • Soothelip
    • Soraway
    • Viralief
    • Virasorb
    • Lypsyl
    • Avert
    • ViraxPuren
    • Cymex ultra
    • 2-amino-9-((2-hydroxyethoxy)methyl)-6,9-dihydro-3H-purin-6-one
    • Aci Sanorania
    • Virax Puren
    • aciclovir von ct
    • Solutab, Acipen
    • Acyclo V
    • Alonga, Aciclovir
    • Sodium, Acyclovir
    • Aciclovir Sanorania
    • Aciclovir-Sanorania
    • Wellcome248U
    • Acyclovir suspension
    • Wellcome 248U
    • Virovir 200
    • Virovir 400
    • Virovir 800
    • RefChem:5516
    • D06BB03
    • J05AB01
    • S01AD03
    • NSC335752
    • 261-685-1
    • Zovirax
    • Zovir
    • 2-Amino-9-((2-hydroxyethoxy)methyl)-1H-purin-6(9H)-one
    • Zyclir
    • 9-(2-Hydroxyethoxy)methylguanine
    • 9-HYROXYETHOXYMETHYLGUANINE
    • MFCD00057880
    • C8H11N5O3
    • W-248-U
    • 2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one
    • Aciclovir [INN]
    • NSC 645011
    • Acyclovir-side chain-2-3H
    • Acyclovir (Aciclovir)
    • ACYCLOVIR-SIDECHAIN-2-3H
    • 9-(2-Hydroxyethoxymethyl)guanine
    • Zovirax (TN)
    • MLS000069633
    • AC2
    • Acyclovir [USAN]
    • NCGC00015061-02
    • Aciclovier
    • Activir
    • Hascovir
    • SMR000058225
    • 2-amino-9-[(2-hydroxyethoxy)methyl]-3,9-dihydro-6H-purin-6-one
    • Aciclovir for impurity G identification CRS
    • CAS-59277-89-3
    • 6H-Purin-6-one, 1,9-dihydro-2-amino-9-((2-hydroxyethoxy)methyl)-
    • 2-amino-9-(2-hydroxyethoxymethyl)purin-6-ol
    • Aciclovirum [INN-Latin]
    • 2-amino-9-[(2-hydroxyethoxy)methyl]hydropurin-6-one
    • 2-amino-9-((2-hydroxyethoxy)methyl)-3H-purin-6(9H)-one
    • Viropump
    • AcycloFoam
    • Genvir
    • Maynar
    • 2-amino-9-[(2-hydroxyethoxy)methyl]-6,9-dihydro-1H-purin-6-one
    • Acyclovir Lauriad
    • DRG-0008
    • Acyclovir (USP)
    • BW 248U
    • 88713-38-6
    • CCRIS 1953
    • HSDB 6511
    • SR-01000075540
    • Acyclovir [USAN:USP]
    • EINECS 261-685-1
    • ACV & Pluronic F-68
    • B-LF& ACV
    • UNII-X4HES1O11F
    • Valaciclovir EP Impurity B
    • Acyclovir & Pluronic F-68
    • Poviral
    • Sitavir
    • 59277-89-3

  • Applications

    Chemical name: Acyclovir (CAS number: 59277-89-3) is primarily used as an active pharmaceutical ingredient (API) in antiviral drug products and as a building block in the synthesis of related nucleoside analogs. In pharmaceutical manufacturing, it is formulated into oral, topical, and parenteral dosage forms for antiviral products. Additionally, acyclovir may serve as a starting material or intermediate in the development and optimization of nucleoside-analogs, and is commonly involved in pharmaceutical R&D and contract manufacturing at scale, subject to regulatory controls.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.29
    methanol 0.57
    isopropanol 0.15
    water 1.33
    ethyl acetate 0.01
    n-propanol 0.37
    acetone 0.01
    n-butanol 0.38
    acetonitrile 0.14
    DMF 2.66
    toluene 0.0
    isobutanol 0.2
    1,4-dioxane 0.02
    methyl acetate 0.04
    THF 0.18
    2-butanone 0.11
    n-pentanol 0.16
    sec-butanol 0.28
    n-hexane 0.0
    ethylene glycol 2.26
    NMP 15.73
    cyclohexane 0.0
    DMSO 6.73
    n-butyl acetate 0.1
    n-octanol 0.03
    chloroform 0.04
    n-propyl acetate 0.05
    acetic acid 1.31
    dichloromethane 0.05
    cyclohexanone 0.21
    propylene glycol 3.04
    isopropyl acetate 0.01
    DMAc 6.04
    2-ethoxyethanol 1.1
    isopentanol 0.21
    n-heptane 0.01
    ethyl formate 0.15
    1,2-dichloroethane 0.04
    n-hexanol 0.13
    2-methoxyethanol 3.3
    isobutyl acetate 0.03
    tetrachloromethane 0.02
    n-pentyl acetate 0.04
    transcutol 0.78
    n-heptanol 0.07
    ethylbenzene 0.0
    MIBK 0.03
    2-propoxyethanol 1.14
    tert-butanol 0.08
    MTBE 0.01
    2-butoxyethanol 0.61
    propionic acid 0.81
    o-xylene 0.0
    formic acid 11.23
    diethyl ether 0.01
    m-xylene 0.0
    p-xylene 0.01
    chlorobenzene 0.01
    dimethyl carbonate 0.07
    n-octane 0.0
    formamide 8.29
    cyclopentanone 0.48
    2-pentanone 0.03
    anisole 0.01
    cyclopentyl methyl ether 0.04
    gamma-butyrolactone 1.04
    1-methoxy-2-propanol 1.4
    pyridine 0.11
    3-pentanone 0.05
    furfural 1.81
    n-dodecane 0.0
    diethylene glycol 3.57
    diisopropyl ether 0.0
    tert-amyl alcohol 0.16
    acetylacetone 0.02
    n-hexadecane 0.0
    acetophenone 0.07
    methyl propionate 0.05
    isopentyl acetate 0.12
    trichloroethylene 0.07
    n-nonanol 0.03
    cyclohexanol 0.14
    benzyl alcohol 0.1
    2-ethylhexanol 0.08
    isooctanol 0.06
    dipropyl ether 0.05
    1,2-dichlorobenzene 0.01
    ethyl lactate 0.54
    propylene carbonate 0.45
    n-methylformamide 2.25
    2-pentanol 0.1
    n-pentane 0.0
    1-propoxy-2-propanol 0.74
    1-methoxy-2-propyl acetate 0.15
    2-(2-methoxypropoxy) propanol 0.78
    mesitylene 0.0
    ε-caprolactone 0.37
    p-cymene 0.02
    epichlorohydrin 0.36
    1,1,1-trichloroethane 0.01
    2-aminoethanol 2.37
    morpholine-4-carbaldehyde 2.86
    sulfolane 7.25
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 0.09
    n-hexyl acetate 0.04
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 0.64
    sec-butyl acetate 0.02
    tert-butyl acetate 0.01
    decalin 0.0
    glycerin 14.8
    diglyme 0.93
    acrylic acid 1.71
    isopropyl myristate 0.02
    n-butyric acid 0.47
    acetyl acetate 0.01
    di(2-ethylhexyl) phthalate 0.12
    ethyl propionate 0.05
    nitromethane 1.0
    1,2-diethoxyethane 0.04
    benzonitrile 0.1
    trioctyl phosphate 0.09
    1-bromopropane 0.03
    gamma-valerolactone 1.37
    n-decanol 0.03
    triethyl phosphate 0.24
    4-methyl-2-pentanol 0.04
    propionitrile 0.21
    vinylene carbonate 0.37
    1,1,2-trichlorotrifluoroethane 4.22
    DMS 0.07
    cumene 0.01
    2-octanol 0.03
    2-hexanone 0.08
    octyl acetate 0.03
    limonene 0.02
    1,2-dimethoxyethane 0.54
    ethyl orthosilicate 0.16
    tributyl phosphate 0.12
    diacetone alcohol 0.24
    N,N-dimethylaniline 0.04
    acrylonitrile 0.42
    aniline 0.03
    1,3-propanediol 2.13
    bromobenzene 0.0
    dibromomethane 0.03
    1,1,2,2-tetrachloroethane 0.09
    2-methyl-cyclohexyl acetate 0.14
    tetrabutyl urea 0.23
    diisobutyl methanol 0.04
    2-phenylethanol 0.11
    styrene 0.0
    dioctyl adipate 0.06
    dimethyl sulfate 0.71
    ethyl butyrate 0.11
    methyl lactate 1.15
    butyl lactate 0.41
    diethyl carbonate 0.11
    propanediol butyl ether 0.85
    triethyl orthoformate 0.16
    p-tert-butyltoluene 0.01
    methyl 4-tert-butylbenzoate 0.21
    morpholine 0.16
    tert-butylamine 0.03
    n-dodecanol 0.02
    dimethoxymethane 0.16
    ethylene carbonate 0.19
    cyrene 2.89
    2-ethoxyethyl acetate 0.05
    2-ethylhexyl acetate 0.1
    1,2,4-trichlorobenzene 0.03
    4-methylpyridine 0.05
    dibutyl ether 0.02
    2,6-dimethyl-4-heptanol 0.04
    DEF 0.25
    dimethyl isosorbide 1.25
    tetrachloroethylene 0.07
    eugenol 0.47
    triacetin 0.12
    span 80 0.46
    1,4-butanediol 0.84
    1,1-dichloroethane 0.01
    2-methyl-1-pentanol 0.14
    methyl formate 0.61
    2-methyl-1-butanol 0.31
    n-decane 0.0
    butyronitrile 0.16
    3,7-dimethyl-1-octanol 0.03
    1-chlorooctane 0.01
    1-chlorotetradecane 0.0
    n-nonane 0.0
    undecane 0.0
    tert-butylcyclohexane 0.0
    cyclooctane 0.0
    cyclopentanol 0.36
    tetrahydropyran 0.03
    tert-amyl methyl ether 0.03
    2,5,8-trioxanonane 0.84
    1-hexene 0.01
    2-isopropoxyethanol 0.34
    2,2,2-trifluoroethanol 1.65
    methyl butyrate 0.13

    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