CAS 557-09-5 Zinc Caprylate (HCID 11180)

名称と識別子

優先名称: Zinc Caprylate
IUPAC: zinc bis(octanoate)
現地名: ビスオクタン酸亜鉛
英語名: ZINC CAPRYLATE
分子式: C16H30O4Zn
分子量: 351.8

名称と別名

Zinc caprylateZinc octanoateZinc dioctanoate557-09-5Zinc dioctylateZinc octoateZinc octylateOctanoic acid, zinc saltZinc(II) octoateOCTANOIC ACID, ZINC SALT (2:1)Zinc(2+) octanoateOctanoic acid zinc salt

名称をさらに表示

二オクタン酸亜鉛ビスオクタン酸亜鉛ジオクタン酸亜鉛カプリル酸亜鉛亜鉛（II）＝ジオクタノアートカプリレート亜鉛(オクタノイルオキシ)ジンシオオクタノアートcaprylateNsc63869Zinc &zincoctylateZincoctanoateZinkdioctanoat

DTXSID2042517Octanoic acid, zinc salt, basicEINECS 209-156-6EINECS 291-793-4NSC 63869QL5435GI2SEC 291-793-490480-58-3

データベース識別子

CAS: 557-09-5、90480-58-3
PubChem CID: 11180
DTXSID: DTXSID2042517
ChEMBL: CHEMBL3559812
UNII: QL5435GI2S
EC Number: 209-156-6、291-793-4
Nikkaji: J54.269E

物性

構造計算による物性

極性表面積: 80.3 Å²
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: 10
重原子数: 21
形式電荷: 0
複雑度: 83.7

実験および物理化学的性質

Chemical ClassesMetals -> Organic Acids, Metal Salts

Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR

Physical DescriptionLustrous solid; [Merck Index] White powder; [Pfaltz and Bauer MSDS]

物理化学的性質

融点: 136 ° · 136°
比重(密度): 1.19 g/cm3 · 1.19 g/cm3
闪点: 63 °C · 63.00°C
溶解性: 2 O · slightly soluble in H2O
外見: 白い吸湿性結晶
色: white hygroscopic crystals, crystalline
水溶解度: 2 O;可溶性沸騰アルコール · わずかに溶ける沸騰H2O;可溶性沸騰アルコール [HAW93]
安定性: 安定。湿気を避けてください。
InChI: InChI=1S/C6H8N2O/c1-4-3-5(2)7-8-6(4)9/h3,7H,2H2,1H3,(H,8,9)
InChIKey: CHJMFFKHPHCQIJ-UHFFFAOYSA-L
SMILES: [Zn](OC(=O)CCCCCCC)OC(=O)CCCCCCC
EPAの化学物質情報: Zinc octanoate (557-09-5)

化学的性質

化学的特性Lustrous scales. Decomposes in moist atmosphere giving off caprylic acid. Slightly soluble in boiling water; fairly soluble in boiling alcohol.

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 13.3% (28 of 210) of reports.

Warning

H302 (84.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 210 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

This chemical does not meet GHS hazard criteria for 25% (1 of 4) of reports.

危険有害性情報

Regulatory Information · 6 件

Chemical: Octanoic acid, zinc salt

Chemical: Octanoic acid, zinc salt, basic

Status: Active Update: 30-04-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/11214

Status: Active Update: 15-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24877

Octanoic acid, zinc salt: Does not have an individual approval but may be used under an appropriate group standard

Octanoic acid, zinc salt, basic: 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.

Other Safety Information · 2 件

Evaluation - Chemicals that are unlikely to require further regulation to manage risks to human health

Hazards SummaryCauses muscle weakness, and diarrhea in oral lethal-dose studies of mice and rats; [RTECS] Decomposed by moist air evolving caprylic acid; [Merck Index] An irritant; [Pfaltz and Bauer MSDS] See Zinc. See Octanoic acid.

Hazard Classes and Categories · 2 件

Eye Irrit. 2 (75%)

Acute Tox. 4 (84.3%)

安全と保護具

Exposure Control and Personal Protection0.1 [mg/m3] (respirable fraction), 2 mg/m3 (inhalable fraction) for Zn inorg. cmpnds[German Research Foundation (DFG)]

安全データ

tsca: TSCA listed
risk_code: 36/37/38
safety_code: 26-36/37/39
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

Uses · 2 件

Used as a fungicide on adhesive tape; [Merck Index]

Working with Glues and Adhesives [Category: Other]

General Manufacturing InformationOctanoic acid, zinc salt (2:1): ACTIVE

応用分野

使用As fungicide like zinc propionate.

調製方法

純化方法It crystallises from EtOH in plates. [Howarth J Chem Soc 1406 1929, Beilstein 2 H 284.]

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化合物ノート

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ビスオクタン酸亜鉛

基本情報