Benzoic Acid

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  • Identifiers

    CAS number
    65-85-0

    Molecular formula
    C7H6O2

    SMILES
    C1=CC=C(C=C1)C(=O)O

    Safety labels

    Corrosive
    Corrosive

    Health Hazard
    Health

    Retention indicies (RI)

    • DB5: 1665.0
    • Carbowax: 2428.71

  • Odor profile

    Fragrance
    Phenolic 58.21%
    Balsamic 55.81%
    Odorless 41.02%
    Sour 38.28%
    Burnt 36.34%
    Honey 35.82%
    Nutty 34.43%
    Medicinal 33.64%
    Aromatic 33.46%
    Bitter 33.18%

     

    Flavor
    Balsam 56.06%
    Faint 46.24%
    Sweet 45.65%
    Phenolic 41.68%
    Sour 40.86%
    Balsamic 38.77%
    Honey 38.47%
    Odorless 35.97%
    Nutty 35.33%
    Almond 30.28%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    7.2 (neutral)

    Molecular weight
    122.12 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Melting point expt.

    • 252.3 °F (NTP, 1992)
    • 122.4 °C
    • 121,5 - 123,5 °C
    • 122.35 °C
    • 122 °C

    Boiling point

    • 480 °F at 760 mmHg (NTP, 1992)
    • 249.2 °C
    • 249.2 °C at 760 mm Hg
    • 249 °C

    Flash point

    • 116.86 ˚C est.
    • 250 °F (NTP, 1992)
    • 250 °F (121 °C) (closed cup)
    • 121 °C c.c.

    Solubility expt.

    • less than 1 mg/mL at 68 °F (NTP, 1992)
    • 3400 mg/L (at 25 °C)
    • Mixtures of excess benzoic acid & water form 2 liquid phases beginning at 89.7 °C; the two phases unite at critical solution temperature of 117.2 °C; solubility in water increased by alkaline substances.
    • Monomer & dimer models for solubility of benzoic acid in simple binary and ternary solvents are reported.
    • In water, 3.5X10+3 mg/L at 25 °C
    • 1 g dissolves in: 2.3 mL alcohol (cold), 1.5 mL alcohol (boiling), 4.5 mL chloroform, 3 mL ether, 3 mL acetone, 30 mL carbon tetrachloride,10 mL benzene, 30 mL carbon disulfide, 23 mL oil of turpentine. Also soluble in volatile and fixed oils; slightly soluble in petroleum ether
    • 0.29 g/L of benzoic acid in water at 20 °C
    • Acetone 55.6 g/L, benzene 12.2 g/L, carbone tetrachloride 4.1g/L, chloroform 15g/L, ethanol 58.4 g/L, ethyl ether 40.8 g/L, hexane 0.9 g/L methanol 71.5 g/L, toluene 10.6 g/L
    • 3.4 mg/mL at 25 °C
    • Solubility in water, g/l at 20 °C: 3 (slightly soluble)
    • insoluble in cold water; moderately soluble in hot water; soluble in oils and glycerol
    • very soluble (in ethanol)

  • Synonyms

    • benzoic acid
    • 65-85-0
    • Dracylic acid
    • benzenecarboxylic acid
    • Benzeneformic acid
    • Carboxybenzene
    • phenylformic acid
    • Benzenemethanoic acid
    • Phenylcarboxylic acid
    • benzoate
    • Retardex
    • Benzoesaeure GK
    • Benzoesaeure GV
    • Retarder BA
    • Tenn-Plas
    • Acide benzoique
    • Salvo liquid
    • Solvo powder
    • Benzoesaeure
    • Benzoic acid, tech.
    • Unisept BZA
    • HA 1 (acid)
    • Kyselina benzoova
    • Benzoic acid (natural)
    • HA 1
    • Benzoate (VAN)
    • Benzenemethonic acid
    • FEMA No. 2131
    • Vevovitall
    • Acido benzoico
    • Menno-florades
    • NSC 149
    • Benzoesaeure [German]
    • Caswell No. 081
    • Diacylic acid
    • Oracylic acid
    • Benzoicum acidum
    • CCRIS 1893
    • HSDB 704
    • Acide benzoique [French]
    • Acido benzoico [Italian]
    • E 210
    • Kyselina benzoova [Czech]
    • AI3-0310
    • AI3-03710
    • Diacylate
    • EPA Pesticide Chemical Code 009101
    • CHEBI:30746
    • Salvo powder
    • Acidum benzoicum
    • NSC-149
    • UNII-8SKN0B0MIM
    • E210
    • Salvo, liquid
    • Solvo, powder
    • 8SKN0B0MIM
    • Benzoic acid (e 210)
    • EINECS 200-618-2
    • MFCD00002398
    • Tennplas
    • DTXSID6020143
    • Retarded BA
    • INS-210
    • Aromatic carboxylic acid
    • Benzoic acid [USP:JAN]
    • BENZOIC-4-D1 ACID
    • DTXCID80143
    • INS NO.210
    • E-210
    • EC 200-618-2
    • Benzeneformate
    • Benzenemethanoate
    • Phenylcarboxylate
    • Benzenecarboxylate
    • Benzoic acid 100 microg/mL in Acetone
    • Benzoicacid
    • Benzoic acid (USP:JAN)
    • BENZOIC ACID (II)
    • BENZOIC ACID [II]
    • Benzoic Acid 2000 microg/mL in Dichloromethane
    • BENZOIC ACID (MART.)
    • BENZOIC ACID [MART.]
    • BENZOIC ACID (USP-RS)
    • BENZOIC ACID [USP-RS]
    • BENZOIC ACID (EP MONOGRAPH)
    • BENZOIC ACID [EP MONOGRAPH]
    • BENZOIC ACID (USP MONOGRAPH)
    • BENZOIC ACID [USP MONOGRAPH]
    • Acid, Benzoic
    • Benzoic acid [USAN:JAN]
    • CAS-65-85-0
    • MFCD00002400
    • NSC7918
    • B A
    • Benzoic acid (TN)
    • phenylcarboxy
    • Dracylate
    • ProvitaCombat
    • benzoic aicd
    • benzoic-acid
    • benzoic_acid
    • bezoic acid
    • Aromatic acid
    • benzenecarboxylic
    • Benzoicum Ac
    • Eyelids Wipes
    • benzoic- acid
    • Provita Equiband
    • Retarder BAX
    • 1gyx
    • 1kqb
    • Rheumatism Diarrhea
    • Sodium benzoic acid
    • CARBOXYLBENZENE
    • DIACYCLIC ACID
    • DRACYCLIC ACID
    • benzene carboxylic acid
    • 760 - Preservatives
    • ANTAZOLINE_met016
    • Benzoic acid (Standard)
    • WLN: QVR
    • benzene-2-carboxylic acid
    • EUCATROPINE_met034
    • CYCLANDELATE_met022
    • BENZOIC ACID [MI]
    • Benzoic acid, ACS reagent
    • bmse000300
    • CHEMBL541

  • Applications

    Benzoic Acid, CAS 65-85-0, is widely used as a preservative in food and cosmetics due to its antimicrobial properties and pH-balancing ability; it serves as a key precursor for making compounds such as benzoyl chloride and benzoates used in plastics, coatings, and adhesives; it can be converted to benzyl benzoate, a fragrance-related derivative used in perfumery as a fragrance fixative; in the pharmaceutical and industrial chemical sectors it functions as an intermediate for the synthesis of various drugs and associated derivatives; it also finds use in household cleaning products as a preservative or formulation additive, depending on local regulations and formulation limits.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 478.45
    methanol 582.17
    isopropanol 358.3
    water 6.27
    ethyl acetate 208.81
    n-propanol 343.04
    acetone 396.37
    n-butanol 262.05
    acetonitrile 183.44
    DMF 2000.28
    toluene 65.45
    isobutanol 233.8
    1,4-dioxane 873.06
    methyl acetate 359.7
    THF 925.96
    2-butanone 331.23
    n-pentanol 262.6
    sec-butanol 297.22
    n-hexane 22.92
    ethylene glycol 163.25
    NMP 974.59
    cyclohexane 10.86
    DMSO 1371.87
    n-butyl acetate 153.08
    n-octanol 189.79
    chloroform 211.72
    n-propyl acetate 233.52
    acetic acid 247.84
    dichloromethane 159.61
    cyclohexanone 309.35
    propylene glycol 162.85
    isopropyl acetate 167.9
    DMAc 1061.44
    2-ethoxyethanol 434.45
    isopentanol 209.37
    n-heptane 14.59
    ethyl formate 163.8
    1,2-dichloroethane 202.69
    n-hexanol 252.17
    2-methoxyethanol 586.75
    isobutyl acetate 162.51
    tetrachloromethane 34.23
    n-pentyl acetate 140.11
    transcutol 924.16
    n-heptanol 182.72
    ethylbenzene 70.85
    MIBK 212.94
    2-propoxyethanol 445.24
    tert-butanol 347.99
    MTBE 271.78
    2-butoxyethanol 324.73
    propionic acid 320.33
    o-xylene 71.33
    formic acid 173.21
    diethyl ether 231.57
    m-xylene 82.63
    p-xylene 82.27
    chlorobenzene 94.68
    dimethyl carbonate 175.06
    n-octane 12.93
    formamide 337.45
    cyclopentanone 591.77
    2-pentanone 274.57
    anisole 209.93
    cyclopentyl methyl ether 298.1
    gamma-butyrolactone 701.44
    1-methoxy-2-propanol 492.72
    pyridine 277.13
    3-pentanone 170.36
    furfural 421.51
    n-dodecane 14.77
    diethylene glycol 375.77
    diisopropyl ether 82.44
    tert-amyl alcohol 296.93
    acetylacetone 293.44
    n-hexadecane 15.91
    acetophenone 175.06
    methyl propionate 247.11
    isopentyl acetate 137.14
    trichloroethylene 325.01
    n-nonanol 164.51
    cyclohexanol 157.45
    benzyl alcohol 161.33
    2-ethylhexanol 124.49
    isooctanol 149.48
    dipropyl ether 121.28
    1,2-dichlorobenzene 91.38
    ethyl lactate 142.82
    propylene carbonate 281.54
    n-methylformamide 618.11
    2-pentanol 211.86
    n-pentane 13.87
    1-propoxy-2-propanol 278.19
    1-methoxy-2-propyl acetate 196.98
    2-(2-methoxypropoxy) propanol 245.49
    mesitylene 60.76
    ε-caprolactone 288.74
    p-cymene 43.47
    epichlorohydrin 636.36
    1,1,1-trichloroethane 132.46
    2-aminoethanol 310.56
    morpholine-4-carbaldehyde 810.06
    sulfolane 920.06
    2,2,4-trimethylpentane 14.76
    2-methyltetrahydrofuran 472.21
    n-hexyl acetate 214.41
    isooctane 16.56
    2-(2-butoxyethoxy)ethanol 423.75
    sec-butyl acetate 151.77
    tert-butyl acetate 208.42
    decalin 16.84
    glycerin 228.71
    diglyme 657.92
    acrylic acid 281.76
    isopropyl myristate 98.64
    n-butyric acid 245.39
    acetyl acetate 100.1
    di(2-ethylhexyl) phthalate 71.67
    ethyl propionate 178.4
    nitromethane 516.55
    1,2-diethoxyethane 233.77
    benzonitrile 148.94
    trioctyl phosphate 80.68
    1-bromopropane 110.73
    gamma-valerolactone 633.03
    n-decanol 131.19
    triethyl phosphate 63.62
    4-methyl-2-pentanol 133.96
    propionitrile 180.61
    vinylene carbonate 219.21
    1,1,2-trichlorotrifluoroethane 332.24
    DMS 153.27
    cumene 57.29
    2-octanol 135.18
    2-hexanone 270.34
    octyl acetate 132.51
    limonene 58.77
    1,2-dimethoxyethane 658.69
    ethyl orthosilicate 61.09
    tributyl phosphate 76.91
    diacetone alcohol 322.04
    N,N-dimethylaniline 156.7
    acrylonitrile 256.62
    aniline 127.65
    1,3-propanediol 340.4
    bromobenzene 71.36
    dibromomethane 107.06
    1,1,2,2-tetrachloroethane 309.13
    2-methyl-cyclohexyl acetate 98.23
    tetrabutyl urea 111.06
    diisobutyl methanol 80.65
    2-phenylethanol 168.72
    styrene 77.68
    dioctyl adipate 115.39
    dimethyl sulfate 312.57
    ethyl butyrate 117.5
    methyl lactate 209.53
    butyl lactate 128.59
    diethyl carbonate 72.57
    propanediol butyl ether 291.68
    triethyl orthoformate 78.47
    p-tert-butyltoluene 46.7
    methyl 4-tert-butylbenzoate 183.91
    morpholine 810.61
    tert-butylamine 195.91
    n-dodecanol 101.25
    dimethoxymethane 581.63
    ethylene carbonate 171.8
    cyrene 211.54
    2-ethoxyethyl acetate 183.68
    2-ethylhexyl acetate 98.61
    1,2,4-trichlorobenzene 115.94
    4-methylpyridine 268.19
    dibutyl ether 133.78
    2,6-dimethyl-4-heptanol 80.65
    DEF 405.29
    dimethyl isosorbide 310.27
    tetrachloroethylene 182.96
    eugenol 223.28
    triacetin 160.98
    span 80 202.37
    1,4-butanediol 205.44
    1,1-dichloroethane 175.52
    2-methyl-1-pentanol 189.6
    methyl formate 413.74
    2-methyl-1-butanol 190.19
    n-decane 21.79
    butyronitrile 157.41
    3,7-dimethyl-1-octanol 139.75
    1-chlorooctane 89.94
    1-chlorotetradecane 40.16
    n-nonane 20.05
    undecane 17.78
    tert-butylcyclohexane 21.16
    cyclooctane 6.21
    cyclopentanol 255.39
    tetrahydropyran 413.63
    tert-amyl methyl ether 193.58
    2,5,8-trioxanonane 452.21
    1-hexene 99.51
    2-isopropoxyethanol 325.04
    2,2,2-trifluoroethanol 120.91
    methyl butyrate 254.83

    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
Almond 8013-76-1 Prunus dulcis (Miller) D.A. Webb (P. amygdalus Batsch, P. communis L.) 0.5%
Cabreuva balsam Myroxylon peruiferum L. F., fam. Leguminosae (Papillionaceae) 1.4%
Citronella java (China) 8000-29-1 Cymbopogon winterianus Jowitt., fam. Poaceae (Gramineae) 0.01%
Orris butter 8002-73-1 Iris florentina L., fam. Iridaceae 0.01%
Jasmine oil (Turkey) 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 0.07%
Jasmine absolute (Japan) 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 0.01%
Cassia, bark (China) 2 8007-80-5 Cinnamomum cassia Blume, fam. Lauraceae 0.01%
Genet absolute 2 8023-80-1 Spartium junceum L., fam. Leguminosae (Papilionaceae) 0.03%
Styrax (Honduras) 8024-01-9 Liquidambar styraciflua L., fam. Hamamelidaceae 0.05%
Jasmine sambac (France) concrete Jasminum sambac (L.) Aiton, fam. Oleaceae 1.0%
Fagraea berteriana flower Fagraea berteriana A. Gray ex Benth., fam. Potaliaceae 0.08%
Zizyphus jujuba fruit (Malaysia) Zizyphus jujuba Mill. var. inermis, fam. Rhamnaceae 0.01%
Jasmine rose absolute (India) Gardenia jasminoides Ellis, fam. Rubiaceae 0.31%
Tamarind 3 fruit Tamarindus indica L., fam. Leguminosae 0.01%
Cinnamomum "Re G—ng" (Vietnam) 1a leaf Cinnamomum species "Re G—ng", fam. Lauraceae 0.01%
Cinnamomum "Re G—ng" (Vietnam) 1b stem Cinnamomum species "Re G—ng", fam. Lauraceae 0.01%
Cinnamomum "Re G—ng" (Vietnam) 1d root Cinnamomum species "Re G—ng", fam. Lauraceae 0.01%
Phalaenopsis schilleriana headspace Phalaenopsis schilleriana Rehb. f., fam. Orchidaceae 0.1%
Spearmint, scotch (Japan) Mentha gracilis Sole, fam. Lamiaceae (Labiatae) 7.63%
Mullilam leaf (India) Zanthoxylum rhetsa D.C. syn. Z. limonella (Dennst.) Alston, fam. Rutaceae 0.1%
Genipap fruit (Brazil) Genipa americana L., fam. Rubiaceae 0.7%
Shadberry fruit Amelanchier arborea Nutt., fam. Rosaceae 0.3%
Cassia, bark (China) 4a 8007-80-5 Cinnamomum cassia Blume, fam. Lauraceae 0.08%
Cassia, leaf (China) 4b 8007-80-5 Cinnamomum cassia Blume, fam. Lauraceae 0.09%
Cordia nitida fruit Cordia nitida Vahl., fam. Borraginaceae 0.5%
Anthoxanthum odoratum (Italy) 1b hay Anthoxanthum odoratum L., fam. Poaceae (Gramineae) 0.1%