톨루엔술폰산

톨루엔술폰산 · Toluenesulfonic acid impurity 2

식별자 및 물리적 특성

CAS No.	104-15-4
분자식	C7H8O3S
평균 분자량	172.2 g/mol
단동위원소 질량	172.01941512 g/mol
SMILES	Cc1ccc(S(=O)(=O)O)cc1
InChIKey	JOXIMZWYDAKGHI-UHFFFAOYSA-N
PubChem CID	6101
ChEMBL	CHEMBL541253
ChEBI	CHEBI:27849
EC No.	203-180-0
DTXSID	DTXSID0026701
현지명	톨루엔술폰산

화학 및 물리적 성질

XLogP	1.7
극성 표면적	62.8
수소 결합 공여자 수	1
수소 결합 수용자 수	3
회전 가능 결합 수	1
무거운 원자 수	11
형식 전하	0
복잡도	206
물질 분류	Other Classes -> Benzenesulfonic Acid DerivativesCorrosivesIonic LiquidsIndustrial compound
화장품	Cosmetic ingredients (Toluene Sulfonic Acid) -> CIR (Cosmetic Ingredient Review)SurfactantHydrotrope
LogP(분배 계수)	0.9 (calculated)0.09
밀도	1.45 at 77 °F (USCG, 1999) - Denser than waterwill sinkRelative density (water = 1): 1.24
Color/Form	MONOCLINIC LEAFLETS OR PRISMS
용해도	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)
인화점	363 °F (184 °C) (CLOSED CUP)184 °C c.c.
끓는 점	140 °C @ 20 MM HGBoiling point = 38 °C
녹는점	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
증기압	0.0000027 [mmHg]
Food Contact Substances	FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical Description	Toluene 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	Benzenesulfonic acid, methyl- (25231-46-3)

안전 및 규제

GHS 분류	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)
규제 정보	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.)
기타 안전 정보	Evaluation - Chemicals that are unlikely to require further regulation to manage risks to human health
운송 라벨(DOT)	Corrosive
화재 위험	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.
화재 가능성	Ignites after considerable preheating.
건강 유해성	Contact with eyes or skin causes severe irritation. Ingestion causes irritation of mouth and stomach. (USCG, 1999)
유해성 요약	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