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化工社化工社 化学情報印刷レポート · 研究参考用
HCID 6101作成日：2026年10月27日

p-Toluenesulfonic acid

Toluenesulfonic acid impurity 2

https://huagongshe.com/ja/chemical/6101

p-Toluenesulfonic acid の分子構造式

識別子と物理属性

CAS No.104-15-4
分子式C7H8O3S
平均分子量172.2 g/mol
単同位体質量172.01941512 g/mol
SMILESCc1ccc(S(=O)(=O)O)cc1
InChIKeyJOXIMZWYDAKGHI-UHFFFAOYSA-N
PubChem CID6101
ChEMBLCHEMBL541253
ChEBICHEBI:27849
EC No.203-180-0
DTXSIDDTXSID0026701

化学・物理的性質

XLogP1.7
極性表面積62.8
水素結合供与体数1
水素結合受容体数3
回転可能結合数1
重原子数11
形式電荷0
複雑度206
物質分類Other Classes -> Benzenesulfonic Acid DerivativesCorrosivesIonic LiquidsIndustrial compound
化粧品Cosmetic ingredients (Toluene Sulfonic Acid) -> CIR (Cosmetic Ingredient Review)SurfactantHydrotrope
LogP（分配係数）0.9 (calculated)0.09
密度1.45 at 77 °F (USCG, 1999) - Denser than waterwill sinkRelative density (water = 1): 1.24
Color/FormMONOCLINIC LEAFLETS OR PRISMS
溶解度ABOUT 67 G/100 ML WATERSOL IN ALCOHOL, ETHERVERY SOL IN WATER /SODIUM SALT/Solubility in water, g/100ml at 25 °C: 67 (freely soluble)
引火点363 °F (184 °C) (CLOSED CUP)184 °C c.c.
沸点140 °C @ 20 MM HGBoiling point = 38 °C
融点221 °F (USCG, 1999)106-107 °C106-107 °C /ANHYDROUS/MELTING POINT: 38 °C /METASTABLE FORM/Melting point = 106 °C /monohydrate/93 °C /trihydrate/104.50 °C. @ 760.00 mm Hg
蒸気圧0.0000027 [mmHg]
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical DescriptionToluene sulfonic acid, liquid, with more than 5% free sulfuric acid appears as colorless to black solid. Odorless or nearly odorless. (USCG, 1999)Dry PowderCBILarge CrystalsColorless hygroscopic solid[ICSC] Colorless to black solid with no or little odor[CHRIS] Off-white crystals[Integra MSDS]COLOURLESS HYGROSCOPIC FLAKES.
EPAの化学物質情報Benzenesulfonic acid, methyl- (25231-46-3)

安全性と法規制

GHS 分類WarningH315: Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)DangerH314 (42.3%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
規制情報Chemical: Benzenesulfonic acid, 4-methyl-Benzenesulfonic acid, 4-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenesulfonic acid, 4-methyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 06-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/15138Toluenesulphonic acid: Does not have an individual approval but may be used under an appropriate group standardThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
その他の安全情報Evaluation - Chemicals that are unlikely to require further regulation to manage risks to human health
輸送ラベル（DOT）Corrosive
火災危険Special Hazards of Combustion Products: Irritating oxides of sulfur may be formed. (USCG, 1999)Combustible. Gives off irritating or toxic fumes (or gases) in a fire.
火災の可能性Ignites after considerable preheating.
健康有害性Contact with eyes or skin causes severe irritation. Ingestion causes irritation of mouth and stomach. (USCG, 1999)
有害性の概要Corrosive to skin[Quick CPC] High inhalation exposure of dust may cause pulmonary edema[ICSC] A severe skin and eye irritant[CHRIS] Absorbs moisture from air forming a highly acidic liquid
Commercial grades are aqueous solutions (minimum 65% with a maximum of 0.8% free sulfuric acid) and solids (90% and 95% pure)
Highly irritating or corrosive to skin and eyes of rabbits
Not a skin sensitizer in guinea pig maximization test
[IUCLID] Causes severe burns
Inhalation may cause corrosive injuries to upper respiratory tract and lungs
Harmful by ingestion and inhalation
[Integra MSDS]
反応性グループAcids, Strong Oxidizing
EC 分類Symbol: XiR: 36/37/38S: (2)-26-37
UN 分類UN Hazard Class: 8UN Pack Group: III
Reactivity AlertsStrong Oxidizing Agent
Reactivity ProfileTOLUENE SULFONIC ACID, LIQUID, WITH MORE THAN 5% FREE SULFURIC ACID reacts exothermically with chemical bases (for example: amine, amides, and inorganic hydroxides). The reactions can generate dangerously large amounts of heat in small spaces. Dissolution in water or dilution of concentrated solutions with water may generate significant heat. Reacts with sodium hypochlorite to produce chlorine gas. Can react with active metals, including iron and aluminum, and also many less active metals, to dissolve the metal and liberate hydrogen and/or toxic gases. Can initiate possibly violent polymerization in certain alkenes such as allyl chloride. Reacts with cyanide salts and compounds to release gaseous hydrogen cyanide. Flammable and/or toxic gases are also often generated by reactions with dithiocarbamates, isocyanates, mercaptans, nitrides, nitriles, sulfides, and weak or strong reducing agents. Additional gas-generating reactions may occur with sulfites, nitrites, thiosulfates (to give H2S and SO3), dithionites (SO2), and carbonates: the carbon dioxide gas from the last is nontoxic but the heat and spattering from the reaction can be troublesome. Can catalyze (increase the rate of) chemical reactions. May burn but not ignited readily. Incompatible with carbides, bromates, chlorates, fulminates, picrates, and powdered metals [Haz. Chem. Data 1966]. Produces highly toxic fumes of oxides of sulfur when heated to decomposition.
消火Fire Extinguishing Agents: Water (USCG, 1999)Use water spray, powder, alcohol-resistant foam, carbon dioxide. In case of fire: keep drums, etc., cool by spraying with water.
応急処置措置Fresh air, rest. Half-upright position. Artificial respiration may be needed. Refer immediately for medical attention.Remove contaminated clothes. Rinse skin with plenty of water or shower. Refer immediately for medical attention.Rinse with plenty of water for several minutes (remove contact lenses if easily possible). Refer immediately for medical attention.Rinse mouth. Do NOT induce vomiting. Refer immediately for medical attention.
応急処置EYES: wash thoroughly with copious amounts of water for at least 15 min.call physician if irritation persists.
安全保管Dry. Separated from strong bases and food and feedstuffs.
非火災時の漏出対応Neutralizing Agents for Acids and Caustics: Flush with water, rinse with dilute sodium bicarbonate or lime solution. (USCG, 1999)
処分方法SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.Spillage disposal: /SRP: For laboratory quantities:/ Wear eye protection, laboratory coat and nitrile rubber gloves. Scoop into a pail of cold water. Neutralize with sodium carbonate and wash into the drain with at least 50 times its volume of water.
漏出処分Personal protection: complete protective clothing including self-contained breathing apparatus. Sweep spilled substance into covered dry, plastic containers. If appropriate, moisten first to prevent dusting. Carefully collect remainder. Then store and dispose of according to local regulations.
Isolation and EvacuationExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Eye PreventionWear face shield or eye protection in combination with breathing protection.
Fire PreventionNO open flames.
Inhalation RiskEvaporation at 20 °C is negligiblea harmful concentration of airborne particles can, however, be reached quickly when dispersed, especially if powdered.
Skin PreventionProtective gloves. Protective clothing.
環境中動態TERRESTRIAL FATE: p-Toluenesulfonic acid is a strong acid (pKa = -1.34(1)) and is completely dissociated and highly soluble (about 620 g/L(2)) in water. It would be expected to leach fairly rapidly. Its biodegradation in soil is unknown(SRC).AQUATIC FATE: Once released into the aquatic compartment, p- toluenesulfonic acid will not be transported into the sediment or volatilize to the atmosphere. Based on the results of biodegradation screening studies(1-8), it may slowly biodegrade if acclimated microbial populations are present. p- Toluenesulfonic acid would not be expected to bioconcentrate in aquatic organisms(SRC).ATMOSPHERIC FATE: Based on its estimated vapor pressure, 2.7X10-6 mm Hg at 25 °C(2), p-toluenesulfonic acid should exist in the atmosphere both as an aerosol and as a vapor(4). Vapor-phase p- toluenesulfonic acid will react with photochemically-produced hydroxyl radicals resulting in an estimated half-life of 11.8 days (3,SRC). p-Toluenesulfonic acid is highly soluble in water, 620,000 mg/L(1), and therefore should be scavenged by rain(SRC).
有害作用Dermatotoxin - Skin burns.
暴露経路Serious local effects by all routes of exposure.
毒性の概要Toluene Sulfonic Acid...safe as cosmetic ingredient in the present practice of use and concentration as described in this safety assessment, when formulated to be nonirritatingSafe for use in cosmetics, with qualifications
Signs and SymptomsSore throat. Cough. Burning sensation. Laboured breathing. Shortness of breath.Redness. Pain. Serious skin burns.Redness. Pain. Burns.Sore throat. Burning sensation in the throat and chest. Shock or collapse.
ICSC Environmental DataThe substance is harmful to aquatic organisms.
Soil Adsorption/MobilityThe log Koc for p- toluenesulfonic acid estimated from molecular structure is 19(1). According to a suggested classification scheme(2), this estimated Koc suggests that p-toluenesulfonic acid is highly mobile in soil and would readily leach(SRC).
Natural Pollution SourcesNone. (SRC)
Human Toxicity Excerpts/IT IS/ HIGHLY IRRITATING TO SKIN, MUCOUS MEMBRANES.MODERATELY TOXICSKIN IRRITANT.Contact with eyes or skin causes severe irritation. Ingestion causes irritation of mouth and stomach.Irritating to skin, eyes and mucous membranes. Highly toxic if swallowed.
Artificial Pollution SourcesWastewater from production(1). Wastewater from its use in organic synthesis or as a catalyst(1).
Environmental BiodegradationExperimental results are conflicting on the biodegradability of p-toluenesulfonic acid. Results range from 100% degradation in a few days with acclimated activated sludge to no degradation in 37-64 days(1-6). There are special species that are capable of degrading this compound and its degradation depends on the existance and cultivation of these species in the environment(7,8).
Environmental BioconcentrationUsing an estimated log Kow of -0.62(1), one would estimate a BCF of 0.2 for p- toluenesulfonic acid using a recommended regression equation(2). This would indicate that p-toluenesulfonic acid would not bioconcentrate in aquatic organisms(SRC).