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ジブチルジチオカルバミン酸亜鉛(II)

Zinc dibutyldithiocarbamate

HCID 5284483
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
部分構造検索類似構造を探す

基本情報

CAS
136-23-2
標準SMILES
CCCCN(CCCC)C(=S)[S-].CCCCN(CCCC)C(=S)[S-].[Zn+2]
InChIKey
BOXSVZNGTQTENJ-UHFFFAOYSA-L
分子式
C18H36N2S4Zn
平均分子量
474.1 g/mol
単同位体質量
472.105276

概要

Zinc dibutyldithiocarbamate is a dithiocarbamate salt that is the zinc salt of dibutyldithiocarbamic acid. It has a role as an antifungal agrochemical. It is a zinc molecular entity and a dithiocarbamate salt. It contains a dibutyldithiocarbamate and a zinc(2+). It is functionally related to a dibutyldithiocarbamic acid.

名称と識別子

優先名称
Zinc dibutyldithiocarbamate
IUPAC
zinc bis(N,N-dibutylcarbamodithioate)
現地名
ジブチルジチオカルバミン酸亜鉛(II)
英語名
Zinc dibutyldithiocarbamate
分子式
C18H36N2S4Zn
分子量
474.14

名称と別名

Zinc dibutyldithiocarbamate136-23-2ButazateVulcacure ZBZimate, butylVulkacit ldb/CVulkacit LDBSoxinol BZZinc bis(dibutyldithiocarbamate)Bis(dibutyldithiocarbamato)zincDTXSID0021462dibutyldithiocarbamate zinc salt
名称をさらに表示
ジブチルジチオカルバミン酸亜鉛(II)ビス(ジブチルジチオカルバミン酸)亜鉛ビス(ジブチルジチオカルバミド酸)亜鉛ビス(ジブチルカルバモジチオ酸)亜鉛亜鉛ビス(ジブチルジチオカルバマート)ジ-N-ブチルジチオカルバミン酸亜鉛ジブチルジチオカルバミン酸亜鉛ジブチル·ジチオカルバミン酸ジブチル?ジチオカルバミン酸亜鉛ジ‐N‐ブチルジチオカルバミン酸亜鉛Di-n-butyldithiocarbamic acid zinc saltzbcZinkbis(dibutyldithiocarbamat)accelbzNsc3880usafgy-5acetozdbdsoxinolbzvulcacure
Carbamodithioic acid, dibutyl-, zinc saltHNM5J934VPDTXCID501462CHEBI:144323NSC-3880NSC-36548(T-4)-bis(dibutylcarbamodithioato-kappaS,kappaS')zinczinc bis(dibutylthiocarbamoyl)disulfide

物性

構造計算による物性

極性表面積
72.7 Ų
水素結合供与体数
0
水素結合受容体数
4
回転可能結合数
12
重原子数
25
形式電荷
0
複雑度
112

実験および物理化学的性質

PolymersPlastics & Rubber -> Dithiocarbamates (Rubber)
CosmeticsAntioxidant; Antimicrobial
OdorPleasant odor
Density1.24 at 20 °C/20 °C
Color/FormWhite powder
SolubilitySol in carbon disulfide, benzene, chloroform; insol in water
Boiling PointDecomposes at 296 °C
DecompositionWhen heated to decomposition it emits very toxic fumes of /zinc, nitrogen , and sulfur oxides/.
Melting Point104-108 °C
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical Description · 2 件

Wet Solid; Other Solid; Dry Powder; Large Crystals; Other Solid; Dry Powder

White solid with a pleasant odor; [HSDB] White to cream-colored powder; [MSDSonline]

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 · 6 件

Warning

H315: Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

危険有害性情報

Regulatory Information · 4 件

Chemical: Zinc, bis(dibutylcarbamodithioato-S,S')-, (T-4)-

Zinc, bis(dibutylcarbamodithioato-.kappa.S,.kappa.S')-, (T-4)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Zinc, bis(dibutylcarbamodithioato-.kappa.S,.kappa.S')-, (T-4)- 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)

REACH registered substance: Zinc bis(dibutyldithiocarbamate) (EC: 205-232-8)

Butyl ziram: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Short chain zinc dialkyldithiocarbamates: Human health tier II assessment
Hazards Summary · 1 件

Caused minimal to no irritation to skin and eyes of rabbits; Human patch test studies: 1.) No positive sensitizing reactions in 20 volunteers; 2.) Allergic responses elicited when tested on 5 individuals with rubber glove contact dermatitis; [HSDB] A skin, eye, and respiratory tract irritant; May cause skin sensitization; [eChemPortal: ERMA; ESIS] A skin, eye, and respiratory tract irritant; May cause skin sensitization; In chronic animal feeding studies, no significant adverse effects; [IUCLID] Teratogenic when injected into chick eggs; No other data on reproductive toxicity found; [REPROTOX] May cause irritation; May cause skin sensitization; [MSDSonline] Several of the dialkyldithiocarbamates are known skin sensitizers; See Carba mix.

化学と産業

薬理情報

Mechanism of Action · 1 件

The carbamates alone weakly activated estrogen- or progesterone-responsive reporter genes in breast and endometrial cancer cells. All of the carbamates decreased estradiol- or progesterone-induced reporter gene activity in the breast and endometrial cancer cells. In whole cell competition binding assays, the carbamates demonstrated a limited capacity to displace radiolabeled estrogen or progesterone from /estrogen receptor/ or /progesterone receptor/. /Carbamates/

Metabolism/Metabolites · 1 件

Carbon disulfide and its main metabolite 2-thiothiazolidine-4-carboxylic acid are metabolites common to almost all dithiocarbamates. A significant increase in urinary concentration of these compound has been observed for different conditions of exposure and for various dithiocarbamates.

FDA Pharmacological Classification · 6 件

HNM5J934VP

ZINC DIBUTYLDITHIOCARBAMATE

Established Pharmacologic Class [EPC] - Standardized Chemical Allergen

Physiologic Effects [PE] - Increased Histamine Release

Physiologic Effects [PE] - Cell-mediated Immunity

Chemical Structure [CS] - Allergens

用途と製造

Uses · 4 件

Used as accelerator (rubber vulcanization, latex dispersions, and cements), ultra-accelerator for lubricating oil additives, and stabilizer in food packaging and handling; [HSDB]

Cement Producing [Category: Industry]

Accelerator for rubber vulcanization, latex dispersions, and cements; ultra-accelerator for Lubricating oil additive.

Stabilizer used in food packaging & handling

U.S. Exports · 2 件

(1972) No data

(1975) No data

U.S. Imports · 2 件

(1972) No data

(1975) No data

U.S. Production

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
136-23-2
PubChem CID
5284483
DTXSID
DTXSID0021462
ChEMBL
CHEMBL2373108
ChEBI
CHEBI:144323
UNII
HNM5J934VP
EC Number
205-232-8
Nikkaji
J56.178I

物理化学的性質

融点
104 · 104-110°C
沸点
318 ℃[at · 318℃[at 101 325 Pa]
比重(密度)
1 · 1,21 g/cm3
蒸気圧
0 Pa · 0Pa at 25℃
貯蔵温度
Inert atmosphere,Room Temperature
溶解性
Insoluble in water
外見
個体
比重
1.21 · 1.21
色
白い
臭い (Odor)
wh. powd., pleasant odor
水溶解度
100 μg/L · 100μg/L at 25℃
化粧品成分の機能
抗酸化物質抗菌剤
InChI
1S/2C9H19NS2.Zn/c2*1-3-5-7-10(9(11)12)8-6-4-2;/h2*3-8H2,1-2H3,(H,11,12);/q;;+2/p-2
InChIKey
BOXSVZNGTQTENJ-UHFFFAOYSA-L
SMILES
CCCCN(CCCC)C(=S)S[Zn]SC(=S)N(CCCC)CCCC
LogP
2.16 at · 2.16 at 25℃
CAS データベース
136 · 136-23-2(CAS DataBase Reference)
EPAの化学物質情報
Zinc dibutyldithiocarbamate (136-23-2)

化学的性質

化学的特性White powder; pleasant odor. Soluble in carbon disulfide, benzene, and chloroform; insoluble in water.

FDA RequirementsZinc dibutyldithiocarbamate is an indirect food additive for use only as a component of adhesives.
Special Reports · 1 件

EPA/Office of Pollution Prevention and Toxics; High Production Volume (HPV) Challenge Program's Robust Summaries and Test Plans. Available from: http://www.epa.gov/chemrtk/viewsrch.htm on Zinc, bis(dibutylcarbamodithioato-S,S')-, (T-4) as of December 28, 2004.

Hazard Classes and Categories · 4 件

Skin Irrit. 2 (100%)

Hazardous to the aquatic environment (acute) - category 1

Hazardous to the aquatic environment (Acute) - Category 1

STOT SE 3

State Drinking Water Standards(IL) ILLINOIS 5000 ug/L /Zinc/
State Drinking Water Guidelines · 2 件

(AZ) ARIZONA 5000 ug/L /Zinc/

(MN) MINNESOTA 2000 ug/l /Zinc/

Federal Drinking Water GuidelinesEPA 5000 ug/L /Zinc/

安全と保護具

Disposal Methods · 1 件

SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in soil or water; effects on animal, aquatic, and plant life; and conformance with environmental and public health regulations.

毒性情報

Ecotoxicity Values · 3 件

LC50 Salmo gairdneri (Rainbow trout; mean weight 0.84 g, mean length 38 mm) 750 mg/L/24 hr; 560 mg/L/48 hr; 520 mg/L/96 hr; static, dissolved oxygen 9.1 mg/L, pH 8.0, temperature 12 °C.

LC50 Lepomis macrochirus (Bluegill Sunfish; mean weight 0.17 g, mean length 20 mm) >1000 mg/L/24 hr; 880 mg/L/48 hr, 96 hr; static, dissolved oxygen 8.4 mg/L, pH 8.0, temperature 22 °C.

EC50 Daphnia magna (Water flea; immobilization) 0.74 mg/L/48 hr /Conditions of bioassay not specified in source examined/

Adverse EffectsSkin Sensitizer - An agent that can induce an allergic reaction in the skin.
Human Toxicity Excerpts · 5 件

/HUMAN EXPOSURE STUDIES/ Patch testing on 20 human volunteers (14 men and 6 women ranging in age from 17 to 69) with the rubber accelerator ZDBC produced no positive reactions on initial application, no positive reactions during the course of 15 serial applications, and no positive reactions on a subsequent rechallenge. It was concluded that the test substance was not a cumulative irritant or a sensitising agent.

/HUMAN EXPOSURE STUDIES/ ... Dithiocarbamate type accelerators (DTCs), mercaptobenzothiazole type accelerators (MBTs) and their corresponding amines were extracted from three different brands of surgical gloves, analyzed and patch tested in five individuals diagnosed with rubber glove contact dermatitis. Positive patch tests confirmed that DTCs including zinc-dimethyldithiocarbamate, zinc-diethyldithiocarbamate, zinc-dibutyldithiocarbamate, dimethylamine, diethylamine and piperidine triggered allergic response in the subjects.

/SIGNS AND SYMPTOMS/ Acute zinc toxicity from excessive ingestion is uncommon, but GI distress and diarrhea have been reported following ingestion of beverages standing in galvanized cans of from the use of galvanized utensils. However, evidence of hematologic, hepatic, or renal toxicity has not been observed in individuals ingesting as much as 12 g of elemental zinc over a 2-day period. /Zinc/

/SIGNS AND SYMPTOMS/ Alcohol intolerance may result from exposure to dithiocarbamates. /Dithiocarbamates/

For more Human Toxicity Excerpts (Complete) data for ZINC DIBUTYLDITHIOCARBAMATE (8 total), please visit the HSDB record page.

Environmental Biodegradation · 1 件

ANAEROBIC: No biodegradation data were located for zinc dibutyldithiocarbamate(SRC). However, 68% and 17% CO2 production after 50 days with and without sediment, respectively, were reported for analogous zinc dimethyldithiocarbamate using an adapted water sediment medium(1). This suggests biodegradation under anaerobic conditions may be an important environmental fate process for zinc dibutyldithiocarbamate(SRC).

Environmental Bioconcentration · 1 件

No bioconcentration data were located for zinc dibutyldithiocarbamate(SRC). However, BCFs of 90 and 4.7 were reported for analogous zinc dimethyldithiocarbamate using trout and guppies, respectively, which were exposed over a 2-week period(1). According to a classification scheme(2), these BCFs suggest the potential for bioconcentration in aquatic organisms is moderate(SRC), provided the compound is not metabolized by the organism(SRC).

Non-Human Toxicity Excerpts · 5 件

/LABORATORY ANIMALS: Acute Exposure/ Six young adult rabbits, ...body weights... ranged from 2.57- 2.83 kg /were studied/. Thirty-nine (39) mg of the test substance was instilled into the conjunctival sac of the right eye of each animal... . Observations for signs of irritation were conducted on days 1, 2, and 3 after dosing. The untreated eye of each animal served as a negative control. ...The Draize Method was used for scoring eye irritation. The average Draize score for 24, 48 and 72 hours was calculated for each animal and then averaged over the six animals. The average Draize score was 0.3 on a scale from 0-110. All signs of irritation had subsided by the second day after exposure.

/LABORATORY ANIMALS: Acute Exposure/ Six young adult /New Zealand albino/ rabbits, ...mean body weights... ranged from 2.91-3.20 kg /were studied/. The skin on the dorsal surface of each animal was shaved with an electric clipper and abraded with a hypodermic needle prior to administration of the test substance. ...A mass of 0.5 g of the test material, moistened with physiological saline, was applied to each of two intact and two abraded sites on each animal. The test material was applied to the skin under 1 inch square gauze patches and held in contact with the skin by means of an occlusive wrap of latex rubber secured by bandaging and elastic tape. The occlusive wrap and gauze patches were removed after 24 hours, and the excess test material was wiped from the treated sites of each animal. The initial (day 1) observation for skin irritation was made approximately 1 hr after removal of the wrappings. Dermal irritation was scored by the Draize Method... . The Primary Irritation Index was found to be 0.1 on a scale of 0.0-8.0. All signs of skin irritation had subsided by the third day after test material administration.

/LABORATORY ANIMALS: Subchronic or Prechronic Exposure/ Groups of 15 male and 15 female rats were given diet containing 0, 100, 500 or 2500 ppm zinc dibutyldithiocarbamate for 17 wk. At 2500 ppm rate of body weight gain of females and food intake of both sexes were reduced and relative liver and kidney weight of both sexes were increased. There were no effects on results of hematological exam or analyses of serum and urine. No-untoward-effect level was 500 ppm.

/LABORATORY ANIMALS: Subchronic or Prechronic Exposure/ Excessive zinc addition to food or water /of experimental animals/ has resulted in a variety of systemic effects in the hematological and gastrointestinal systems. Alterations in the blood lipid profile and lesions in the liver, kidney, and pancreas as well as decreased body weight gain have been reported. /Zinc/

For more Non-Human Toxicity Excerpts (Complete) data for ZINC DIBUTYLDITHIOCARBAMATE (14 total), please visit the HSDB record page.

Environmental Abiotic DegradationDithiocarbamate salts are known to rapidly hydrolyze under acidic conditions. Breakdown products detected during hydrolysis experiments are the starting amine ... and carbon disulfide(1).
Antidote and Emergency Treatment · 3 件

Basic treatment: Establish a patent airway. Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilation if necessary. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for shock and treat if necessary ... . Anticipate seizures 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 mL/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 ... . /Dithiocarbamates and Related Compounds/

For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with normal saline during transport ... . Advanced treatment: Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious or in severe respiratory distress patient. Hyperventilate if signs of cerebral edema are present. Monitor cardiac rhythm and treat arrhythmias if necessary ... . Start an IV with D5W /SRP: "To keep open", minimal flow rate/. Use lactated Ringer's if signs of hypovolemia are present. Watch for signs of fluid overload. Treat seizures with diazepam ... . For hypotension with signs of hypovolemia, administer fluid cautiously. Consider vasopressors for hypotension with a normal fluid volume. Watch for signs of fluid overload ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Dithiocarbamates and Related Compounds/

Persons who have absorbed any significant amount of thiocarbamates must avoid alcoholic beverages for at least three weeks. Disposition of thiocarbamates is slow, and their inhibitory effects on enzymes are slowly reversible. /Thiocarbamates/

Non-Human Toxicity Values · 4 件

LD50 Mouse 100 mg/kg

LD50 Mouse ip >2.5 g/kg bw

LD50 Rat oral >5000 mg/kg bw

LD50 Rabbit (New Zealand albino) dermal >2000 mg/kg bw

法規制情報

FDA RequirementsZinc dibutyldithiocarbamate is an indirect food additive for use only as a component of adhesives.
State Drinking Water Standards(IL) ILLINOIS 5000 ug/L /Zinc/
State Drinking Water Guidelines · 2 件

(AZ) ARIZONA 5000 ug/L /Zinc/

(MN) MINNESOTA 2000 ug/l /Zinc/

Federal Drinking Water GuidelinesEPA 5000 ug/L /Zinc/

安全データ

wgk
WGK 2
tsca
TSCA listed
rtecs
ZH0175000
ridadr
3077
毒性
LD50 ipr-mus: 100 mg/kg NTIS** AD277-689
hs_code
2931.90.9051
risk_code
36/37/38-50/53-43
化審法
(2)-2122
hazard_code
Xi,N
safety_code
26-36/37/39-61-60-37-24
hazard_class
9
packing_group
III
Hazard Classifications
Aquatic Acute 1Aquatic Chronic 1Eye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3
ストレージクラス
11 - Combustible Solids
有毒物質データの
136-23-2(Hazardous Substances Data)
危険度評価(NFPA 704基準/消防庁データ)
人的[青]=1
· 4 件

2023: 1,000,000 - <2,500,000 lb

Zinc, bis(dibutylcarbamodithioato-.kappa.S,.kappa.S')- is listed as a High Production Volume (HPV) chemical (65FR81686). Chemicals listed as HPV were produced in or imported into the U.S. in >1 million pounds in 1990 and/or 1994. The HPV list is based on the 1990 Inventory Update Rule. (IUR) (40 CFR part 710 subpart B; 51FR21438).

(1972) 1.81X10+9 GRAMS

(1975) 6.21X10+8 GRAMS

Consumer UsesPolymerization promoter
Industry UsesPolymerization promoter
Methods of Manufacturing · 2 件

It is manufactured by batch rather than continuous process. ZDBC is manufactured by combining a secondary amine (di-n-butylamine) with carbon disulfide in alkaline aqueous solution, forming a water-soluble dithiocarbamate salt. The soluble salt is then converted to the insoluble zinc salt by reaction with zinc oxide.

REACTION OF AQUEOUS SOLUTION OF SODIUM DIBUTYLDITHIOCARBAMATE WITH ZINC CHLORIDE

Formulations/Preparations"BUTAZATE" /IS UNIROYAL CHEMICAL/ TRADEMARK FOR ZINC DIBUTYLDITHIOCARBAMATE. "BUTYL ZIMATE" /IS VANDERBILT CO, RT, INC/ TRADEMARK FOR ZINC DIBUTYLDITHIOCARBAMATE.
Use ClassificationCosmetics -> Antioxidant; Antimicrobial
General Manufacturing Information · 2 件

Asphalt Paving, Roofing, and Coating Materials Manufacturing

Zinc, bis(dibutylcarbamodithioato-.kappa.S,.kappa.S')-, (T-4)-: ACTIVE

応用分野

用途ゴム薬剤(加硫促進剤) 、潤滑油添加剤、食品包装材料の安定剤

使用Accelerator for latex dispersions and cements, etc; ultra-accelerator for lubricating oil additive.

上流・下流製品情報

上流原料

ジブチルアミンジブチルジチオカルバミド酸·N-ブチル-1-ブタンアミン二硫化炭素塩化亜鉛

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