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ビス(4-ヒドロキシベンゼンスルホン酸)亜鉛

Zinc Phenolsulfonate

HCID 31391
ノート反応
基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
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基本情報

CAS
127-82-2
標準SMILES
O=S(=O)([O-])c1ccc(O)cc1.O=S(=O)([O-])c1ccc(O)cc1.[Zn+2]
InChIKey
ZNVKGUVDRSSWHV-UHFFFAOYSA-L
分子式
Zn(C6H5O4S)2
平均分子量
411.7 g/mol
単同位体質量
409.910851

概要

Zinc phenolsulfonate appears as a colorless to white crystalline solid which turns pink on exposure to air. The primary is the threat to the environment. Immediate steps should be taken to limit its spread to the environment. It is soluble in water. It is used as an insecticide and in medicine.

名称と識別子

優先名称
Zinc Phenolsulfonate
IUPAC
zinc bis(4-hydroxybenzenesulfonate)
現地名
ビス(4-ヒドロキシベンゼンスルホン酸)亜鉛
英語名
ZINC PHENOLSULFONATE
分子式
C6H6O4SZn
分子量
239.55

名称と別名

ZINC PHENOLSULFONATEBenzenesulfonic acid, 4-hydroxy-, zinc salt (2:1)zinc phenolsulphonateEPA Pesticide Chemical Code 089002HSDB 2551EINECS 204-867-8Zinc bis(4-hydroxybenzenesulphonate)UNII-4O71YT5YB54O71YT5YB5Caswell No 921AZinc phenolsulfonate [NF]ZINC P-PHENOLSULPHONATE
名称をさらに表示
ビス(4-ヒドロキシベンゼンスルホン酸)亜鉛亜鉛フェノールスルホナートフェノールスルホン酸亜鉛フェノールスルホン酸亜鉛八水和物P-フェノールスルホン酸亜鉛八水和物4-hyphenozinuniversalzpscaswellno921azincsulfophenateZINC SULFOCARBOLATEZINCSULPHOCARBOLATEZinephenolsulphonateZINC P-PHENOL SULFONATE
ZINC PARAPHENOLSULFONATEZINC PARAPHENOLSULPHONATE1Phenol4sulfonic acid zinc saltDTXSID1059571ZINC PHENOLSULFONATE [HSDB]4Hydroxybenzenesulfonic acid (2:1)ZINC PHENOLSULFONATE [VANDF]ZINC PHENOLSULFONATE [MART.]

物性

構造計算による物性

極性表面積
172 Ų
水素結合供与体数
2
水素結合受容体数
8
回転可能結合数
0
重原子数
23
形式電荷
0
複雑度
194

実験および物理化学的性質

Chemical ClassesOther Uses -> Biocides/Disinfectants
Cosmetics · 2 件

Cosmetic ingredients (Zinc Phenolsulfonate) -> CIR (Cosmetic Ingredient Review)

Astringent; Deodorant; Antimicrobial

pHModerate acidity
OdorOdorless
Densitygreater than 1 at 68 °F (USCG, 1999)
Color/FormColorless transparent crystals or white granular powder
SolubilitySolubility: 62.5 g/100 cc cold water; 250 g/100 cc water at 100 °C; 55.6 g/100 cc alcohol at 25 °C /Octahydrate/
Boiling Point248 °F at 760 mmHg (decomposes) (USCG, 1999)
DecompositionWhen heated to decomposition it emits toxic vapors of /sulfur oxides/ and fumes of /zinc/.
Physical Description · 2 件

Zinc phenolsulfonate appears as a colorless to white crystalline solid which turns pink on exposure to air. The primary is the threat to the environment. Immediate steps should be taken to limit its spread to the environment. It is soluble in water. It is used as an insecticide and in medicine.

安全と法規制

安全情報は参考情報です。供給元の安全データシート(SDS)、適用法令、専門家による評価に代わるものではありません。

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 46.8% (36 of 77) of reports.

Warning

H302 (53.2%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 77 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 3 件

Chemical: Benzenesulfonic acid, 4-hydroxy-, zinc salt (2:1)

Benzenesulfonic acid, 4-hydroxy-, zinc salt (2:1): Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

The 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.)

Other Safety InformationIMAP assessments - Benzenesulfonic acid, 4-hydroxy-, zinc salt (2:1): Human health tier I assessment
DOT LabelDangerous When Wet
Fire HazardsSpecial Hazards of Combustion Products: Irritating oxides of sulfur may form in fires. (USCG, 1999)
Health Hazards · 1 件

Inhalation of dust may irritate nose and throat. Ingestion of large doses has emetic and astringent effects; can cause irritation or corrosion of the alimentary tract. Contact with eyes causes irritation. Contact with skin causes mild irritation. (USCG, 1999)

Hazards Summary · 1 件

化学と産業

薬理情報

Metabolism/Metabolites · 1 件

Zinc can enter the body through the lungs, skin, and gastrointestinal tract. Intestinal absorption of zinc is controlled by zinc carrier protein CRIP. Zinc also binds to metallothioneins, which help prevent absorption of excess zinc. Zinc is widely distributed and found in all tissues and tissues fluids, concentrating in the liver, gastrointestinal tract, kidney, skin, lung, brain, heart, and pancreas. In the bloodstream zinc is found bound to carbonic anhydrase in erythrocytes, as well as bound to albumin, _2-macroglobulin, and amino acids in the the plasma. Albumin and amino acid bound zinc can diffuse across tissue membranes. Zinc is excreted in the urine and faeces. (L49)

用途と製造

Uses · 6 件

CIR ingredient: Zinc Phenolsulfonate

Used in insecticides, topical antiperspirants, mouthwashes, and veterinary wound antiseptics; [HSDB] An astringent; [EPA OHM/TADS]

Using Disinfectants or Biocides [Category: Clean]

IN INSECTICIDE FORMULATIONS

MEDICATION

MEDICATION (VET)

Methods of ManufacturingBY HEATING ZINC HYDROXIDE WITH PARA-PHENOLSULFONIC ACID. /OCTAHYDRATE/
Formulations/Preparations · 3 件

GRADE: TECHNICAL. /OCTAHYDRATE/

Grades of purity: purified /Octahydrate/

NF, granular, powder grades

Household ProductsInformation on 1 consumer products that contain Zinc Phenolsulfonate in the following categories is provided:
Use ClassificationCosmetics -> Astringent; Deodorant; Antimicrobial
General Manufacturing Information · 3 件

Benzenesulfonic acid, 4-hydroxy-, zinc salt (2:1): ACTIVE

Zinc phenolsulfonate was used as ingredient of cosmetic preparations for reducing the redness of facial blemishes.

関連反応

0 件
反応記録を作成

現在のフィルター条件では反応記録がありません。

化合物ノート

読み込み中…

このページの内容基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート

データベース識別子

CAS
127-82-2
PubChem CID
31391
DTXSID
DTXSID1059571
UNII
4O71YT5YB5
EC Number
204-867-8

Octahydrate: Odorless solid; Effloresces in dry air; [Merck Index]

Other Experimental PropertiesSPECIFIC GRAVITY: GREATER THAN 1 @ 20 °C /OCTAHYDRATE/

物理化学的性質

臭い (Odor)
100 %で。無臭 · 100.00%で。無臭
化粧品成分の機能
抗菌剤収斂性デオドラント
InChI
InChI=1S/C6H6O4S.Zn/c7-5-1-3-6(4-2-5)11(8,9)10;/h1-4,7H,(H,8,9,10);
InChIKey
OVKSISLQQUYEAI-UHFFFAOYSA-N
SMILES
S(C1C=CC(O)=CC=1)(O)(=O)=O.[Zn]
LogP
-1.67 · -1.670 (est)
EPAの化学物質情報
Zinc phenolsulfonate (127-82-2)

化学的性質

化学的特性Colorless, transparent crystals or white granular powder; odorless; astringent metallic taste. Effloresces in air, turns pink on exposure to air and light. Loseswater of crystallization at 120C; soluble in water and alcohol.

A 3% solution, applied 8 times over 7 days, caused the cornea of a rabbit to become opaque; Also a single application of a 3% solution caused corneal necrosis of an infant; Oral LD50 (rat) = 1800 mg/kg; [HSDB] An eye and mild skin irritant; [CAMEO] Skin contact causes mild irritation; [CHRIS] Toxic by ingestion--corrosive to GI tract; [EPA OHM/TADS]

Reactive GroupPhenols and Cresols
Special Reports · 5 件

Zinc and Health. Current Bibliographies in Medicine 98-3. Public Services Division/National Library of Medicine. 3619 citations January, 1990-June, 1998. Available from: http://www.nlm.nih.gov/archive/20040831/pubs/cbm/zinc.html as of November 2, 1998.

USEPA; Ambient Water Quality Criteria Doc: Zinc (1980) EPA 400/5-80-079

USEPA; Ambient Water Quality Criteria Doc: Zinc (1987) EPA 400/5-87-003

Arvidson, B. A Review of Axonal Transport of Metals. Toxicology 88: 1-14 (19994) Recent findings regarding axonal transport of metals, including zinc.

For more Special Reports (Complete) data for ZINC PHENOLSULFONATE (6 total), please visit the HSDB record page.

Reactivity ProfileZINC PHENOLSULFONATE behaves as a weak acid in solution. Therefore, it would react with bases in neutralization reactions that would generate heat.
Air and Water ReactionsSoluble in water. Turns pink on exposure to air.
Toxic Combustion ProductsIrritating oxides of sulfur may form in fires. /Octahydrate/
CERCLA Reportable Quantities · 1 件

Persons in charge of vessels or facilities are required to notify the National Response Center (NRC) immediately, when there is a release of this designated hazardous substance, in an amount equal to or greater than its reportable quantity of 5000 lb or 2270 kg. The toll free number of the NRC is (800) 424-8802; In the Washington D.C. metropolitan area (202) 426-2675. The rule for determining when notification is required is stated in 40 CFR 302.4 (section IV. D.3.b).

安全と保護具

Fire FightingExcerpt from ERG Guide 138 [Substances - Water-Reactive (Emitting Flammable Gases)]:
First AidINHALATION: move to fresh air.
Storage ConditionsStorage temp: ambient
Nonfire Spill ResponseExcerpt from ERG Guide 138 [Substances - Water-Reactive (Emitting Flammable Gases)]:
Disposal Methods · 1 件

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.

Isolation and EvacuationExcerpt from ERG Guide 138 [Substances - Water-Reactive (Emitting Flammable Gases)]:
Minimum Risk LevelIntermediate Oral: 0.3 mg/kg/day (L134) Chronic Oral: 0.3 mg/kg/day (L134)
Protective Action Criteria (PAC) · 3 件

5.4 [mg/m3]

59 [mg/m3]

360 [mg/m3]

Personal Protective Equipment (PPE) · 2 件

Dust mask; goggles or face shield; protective gloves (USCG, 1999)

/NIOSH certified respirator/; goggles or face shield; protective gloves. /Octahydrate/

毒性情報

TreatmentZinc poisoning is treated symptomatically, often by administering fluids such as water or milk, or with gastric lavage. (L49)
Health EffectsChronic exposure to zinc causes anemia, atazia, lethargy, and decreases the level of good cholesterol in the body. It is also believed to cause pancreatic and reproductive damage. (L49)
Exposure RoutesOral (L49) ; inhalation (L49) ; dermal (L49)
Toxicity Summary · 2 件

Safe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org

Anaemia results from the excessive absorption of zinc suppressing copper and iron absorption, most likely through competitive binding of intestinal mucosal cells. Unbalanced levels of copper and zinc binding to Cu,Zn-superoxide dismutase has been linked to amyotrophic lateral sclerosis (ALS). Stomach acid dissolves metallic zinc to give corrosive zinc chloride, which can cause damage to the stomach lining. Metal fume fever is thought to be an immune response to inhaled zinc. (L48, L49, A49)

Signs and Symptoms · 1 件

Ingestion of large doses of zinc causes stomach cramps, nausea, and vomiting. Acute inhalation of large amounts of zinc causes metal fume fever, which is characterized by chills, fever, headache, weakness, dryness of the nose and throat, chest pain, and coughing. Dermal contact with zinc results in skin irritation. (L49)

Human Toxicity Excerpts · 2 件

A single instance has been reported in which use of a 3% /zinc phenolsufonate/ soln in eye compresses resulted in complete necrosis of both corneas of an infant.

Subjects using 30 mM zinc phenolsulfonate as a mouthwash retained 12% of the zinc. Salivary zinc concn was increased using mouthwashes containing 17-35 mM zinc as zinc sulfonate, zinc phenolsulfonate, or zinc citrate. At 17 mM, the effect lasted 3-4 hr. Zinc retained in the mouth gave visible fluorescence after rinsing with 8-hydroxyquinoline, and this was particularly evident on the tongue, cheek mucosa, and dental plaque. The concn of zinc in plaque was increased 13 19 fold 1 hr after using 31 or 18 mM zinc phenolsulfonate. The effect of zinc on the metabolic activity of plaque may reduce the growth rate of plaque bacteria and so decrease plaque growth.

Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
Non-Human Toxicity ExcerptsEXPERIMENTAL APPLICATION OF THIS SOLN /3% ZINC PHENOLSULFONATE/ EIGHT TIMES TO EYE OF RABBIT CAUSED CORNEA TO BECOME COMPLETELY OPAQUE IN SEVEN DAYS.
Probable Routes of Human ExposureUse of zinc phenolsulfonate in therapeutic applications will result in considerable human exposure. (SRC)
Antidote and Emergency Treatment · 2 件

Basic treatment: Establish a patent airway. Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if necessary. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for pulmonary edema and treat if necessary ... . Anticipate seizures and treat if necessary ... . Monitor for shock and treat if necessary ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with normal saline during transport ... . Do not use emetics. For ingestion, rinse mouth and administer 5 mg/kg up to 200 mL of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool. Administer activated charcoal ... . Cover skin burns with sterile dressings after decontamination ... . /Sulfur and related compounds/

Advanced treatment: Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious. Early intubation at the first sign of upper airway obstruction may be necessary. Monitor cardiac rhythm and treat arrhythmias if necessary ... . Start an IV with D5W TKO /SRP: "To keep open", minimal flow rate/. Use lactated Ringer's if signs of hypovolemia are present. Watch for signs of fluid overload. Consider drug therapy for pulmonary edema ... . Treat seizures with diazepam (Valium) ... . For hypotension with signs of hypovolemia, administer fluid cautiously. Consider vasopressors for hypotension with a normal fluid volume. Watch for signs of fluid over load ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Sulfur and related compounds/

Toxicity Data · 2 件

LC (rat) > 208,000 mg/m3/1h

LD50: 1800 mg/kg (Oral, Rat) (T14) LD50: 225 mg/kg (Intraperitoneal, Mouse) (T14)

Non-Human Toxicity Values · 3 件

LD50 Oral Rat 1800 mg/kg

LD50 Oral Mouse 3 g/kg

LD50 ip Mouse 225 mg/kg

法規制情報

CERCLA Reportable Quantities · 1 件

Persons in charge of vessels or facilities are required to notify the National Response Center (NRC) immediately, when there is a release of this designated hazardous substance, in an amount equal to or greater than its reportable quantity of 5000 lb or 2270 kg. The toll free number of the NRC is (800) 424-8802; In the Washington D.C. metropolitan area (202) 426-2675. The rule for determining when notification is required is stated in 40 CFR 302.4 (section IV. D.3.b).

Clean Water Act Requirements · 4 件

Designated as a hazardous substance under section 311(b)(2)(A) of the Federal Water Pollution Control Act and further regulated by the Clean Water Act Amendments of 1977 and 1978. These regulations apply to discharges of this substance.

Toxic pollutant designated pursuant to section 307(a)(1) of the Clean Water Act and is subject to effluent limitations. /Zinc and cmpds/

For total recoverable zinc the criterion-to protect freshwater aquatic life ... is 47 ng/l as a 24 hr average ... at hardnesses of 50, 100, and 200 mg/l as CaCO3 the concentration of total recoverable zinc should not exceed 180, 320, 570 ug/l at any time. /Soluble zinc salts/

For total recoverable zinc the criterion to protect saltwater aquatic life ... is 58 ug/l as a 24 hr average and the concentration should not exceed 170 ug/l at any time. /Soluble zinc salts/

State Drinking Water Standards(AZ) ARIZONA 5000 ug/l /Zinc/
State Drinking Water Guidelines(MN) MINNESOTA 2000 ug/l /Zinc/
Federal Drinking Water Guidelines · 2 件

EPA 5000 ug/l /Zinc/

EPA 2000 ug/l /Zinc, Lifetime health advisory/

安全データ

tsca
TSCA listed
有毒物質データの
127-82-2(Hazardous Substances Data)

The effectiveness of metallic salt antiperspirants results from their ability to diffuse into the sweat duct and to form an obstructive hydroxide gel in situ. /Metallic salt antiperspirants/

応用分野 · 4 件

解説フェノールスルホン酸とは、にスルホ基 (-SO3H) が結合した芳香族化合物です。 フェノールスルホン酸亜鉛は、フェノールスルホン酸がの塩となった化合物を指します。つまり、ベンゼン環に1つの-OH基が結合したフェノールに、さらにスルホ基 (-SO3H) が結合し、亜鉛 (Zn) の塩になった化合物がフェノールスルホン酸亜鉛です。 消防法や労働基準法などの国内法規で指定されていませんが、特定の化粧品への配合量は所定濃度以下に規制されています。

使用Insecticide, medicine (antiseptic).

一般的な説明A colorless to white crystalline solid which turns pink on exposure to air. The primary is the threat to the environment. Immediate steps should be taken to limit its spread to the environment. ZINC PHENOLSULFONATE is soluble in water. ZINC PHENOLSULFONATE is used as an insecticide and in medicine.

使用用途フェノールスルホン酸亜鉛の主な使用用途は、化粧品の配合成分です。具体的には制汗剤の有効成分として幅広く利用されています。薬機法上の化粧品だけでなく、医薬部外品 (薬用化粧品) にも配合されます。 また、皮脂による皮脂臭を抑える物質として注目されています。いわゆるデオドラント製品に配合されて使用される成分です。例えば、比較的皮脂臭が強い中年男性をターゲットにした製品に配合されます。 皮脂臭は、汗や皮脂を栄養源にする雑菌の増殖によって引き起こされるため、汗や皮脂の分泌を抑制し、雑菌の増殖を抑制することで皮脂臭を防げます。フェノールスルホン酸亜鉛は、汗や皮脂の分泌を抑制する効果、および、雑菌の増殖を抑制する効果 (殺菌効果) を併せ持つため、汗の臭いや皮脂臭を抑制可能です。

調製方法 · 1 件

純化方法It crystallises from warm water by cooling to 0o. It effloresces in dry air. It loses all its H2O at 120o. Its solubility in H2O is 63% at 20o and 250% at boiling point, and in EtOH it is 55% at 50o. [Beilstein 11 H 53, 11 I 234, 11 IV 574.]

上流・下流製品情報

上流原料

p-フェノールスルホン酸水和物塩化亜鉛

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山东小野化学股份有限公司0539-6362799 20)

補足説明

定義本品は、フェノールスルホン酸の亜鉛塩であり、次の化学式で表される。