2-メチルイソチアゾロン塩酸塩

2-Methyl-4-isothiazolin-3-one hydrochloride

HCID 117746

基本情報

CAS
26172-54-3
標準SMILES
Cl.Cn1sccc1=O
InChIKey
SJXPQSRCFCPWQQ-UHFFFAOYSA-N
分子式
C4H6ClNOS
平均分子量
151.62 g/mol
単同位体質量
150.9858627

名称と識別子

優先名称
2-Methyl-4-isothiazolin-3-one hydrochloride
IUPAC
2-methyl-1,2-thiazol-3-one;hydrochloride
現地名
2-メチルイソチアゾロン塩酸塩
英語名
2-Methyl-4-isothiazolin-3-one hydrochloride
分子式
C4H6ClNOS
分子量
151.61

名称と別名

26172-54-32-Methyl-4-isothiazolin-3-one hydrochloride3(2H)-Isothiazolone, 2-methyl-, hydrochloride3G9PNZ5P41RefChem:881342-Methyl-3-isothiazolone hydrochloride2-Methylisothiazol-3(2H)-one hydrochloride3(2H)-Isothiazolone, 2-methyl-, hydrochloride (1:1)MIT hydrochlorideMethylisothiazolinone HClDTXSID1040740Methylisothiazolinone (hydrochloride)
名称をさらに表示
2-メチルイソチアゾロン塩酸塩2-メチル-4-イソチアゾリン-3-オン 塩酸塩2-methyl-2H-isothiazol-3-one hydrochloride3(2H)-Isothiazolone,2-methyl-,hydrochlorideKB-838MIT·HCLISO-THIAZOLINONE(KATHON)N-MethylisothiazoloneHCl2-Methylisothiazol-3(2H)
MFCD068046362-Methylisothiazol-3-one hydrochloride2-Methylisothiazol-3-one (hydrochloride)2-Methyl-4-isothiazolin-3-one HClSMR000875225UNII-3G9PNZ5P412-Methyl-3(2H)-isothiazolone Hydrochloride2-Methyl-4-isothiazolin-3-one Hydrochloride; 2-Methylisothiazol-3-one hydrochloride

データベース識別子

CAS
26172-54-3
PubChem CID
117746
DTXSID
DTXSID1040740
ChEMBL
CHEMBL1438592
UNII
3G9PNZ5P41
EC Number
247-499-3

物性

構造計算による物性

極性表面積
45.6 Ų
水素結合供与体数
1
水素結合受容体数
2
回転可能結合数
0
重原子数
8

実験および物理化学的性質

Solubility18.4 [ug/mL] (The mean of the results at pH 7.4)

物理化学的性質

融点
165 · 165-170°
比重(密度)
1.551 at · 1.551 at 21℃
蒸気圧
0.777 · 0.777-1Pa at 20-25℃
貯蔵温度
2 · 2-8°C
溶解性
DMSO (Slightly), Methanol (Slightly)
外見
Solid

安全と法規制

GHS分類

GHS Classification · 6 件

Danger

H301 (67.1%): Toxic if swallowed [Danger Acute toxicity, oral];H310+H330 (61.2%): Fatal in contact with skin or if inhaled [Danger Acute toxicity, dermal; acute toxicity, inhalation];H310 (61.2%): Fatal in contact with skin [Danger Acute toxicity, dermal];H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin];H318 (67.1%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H330 (61.2%): Fatal if inhaled [Danger Acute toxicity, inhalation];H334 (32.9%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory];H400 (66.5%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard];H410 (67.1%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

P233, P260, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P320, P321, P330, P333+P317, P342+P316, P361+P364, P362+P364, P363, P391, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 170 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Regulatory Information · 3 件

Chemical: 3(2H)-Isothiazolone, 2-methyl-, hydrochloride

Status: Active Update: 24-02-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/23630

3(2H)-Isothiazolone, 2-methyl-, hydrochloride: 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 · 1 件

IMAP assessments - 3(2H)-Isothiazolone, 2-methyl-, hydrochloride: Human health tier II assessment;IMAP assessments - Isothiazolinones: Human health tier III assessment;IMAP assessments - Methylisothiazolinone preservatives and industrial biocides: Environment tier II assessment

Hazard Classes and Categories · 2 件

Acute Tox. 3 (67.1%);Acute Tox. 2 (61.2%);Skin Corr. 1A (100%);Skin Sens. 1 (100%);Eye Dam. 1 (67.1%);Acute Tox. 2 (61.2%);Resp. Sens. 1 (32.9%);Aquatic Acute 1 (66.5%);Aquatic Chronic 1 (67.1%)

Acute toxicity (ingestion) - category 3;Acute toxicity (dermal) - category 3;Acute toxicity (inhalation) - category 2;Skin corrosion - category 1B;Skin sensitisation - category 1A

法規制情報

Regulatory Information · 3 件

Chemical: 3(2H)-Isothiazolone, 2-methyl-, hydrochloride

Status: Active Update: 24-02-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/23630

3(2H)-Isothiazolone, 2-methyl-, hydrochloride: 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.

安全データ

wgk
3
tsca
TSCA listed
ridadr
UN 1759 8/PG 2
hs_code
2934100090
risk_code
34-42/43
hazard_code
C

化学と産業

薬理情報

MeSH Pharmacological Classification · 2 件

Substances that prevent infectious agents or organisms from spreading or kill infectious agents in order to prevent the spread of infection.

Substances used on inanimate objects that destroy harmful microorganisms or inhibit their activity. Disinfectants are classed as complete, destroying SPORES as well as vegetative forms of microorganisms, or incomplete, destroying only vegetative forms of the organisms. They are distinguished from ANTISEPTICS, which are local anti-infective agents used on humans and other animals. (From Hawley's Condensed Chemical Dictionary, 11th ed)

用途と製造

General Manufacturing Information3(2H)-Isothiazolone, 2-methyl-, hydrochloride (1:1): ACTIVE
応用分野 · 2 件

使用2-Methyl-4-isothiazolin-3-one Hydrochloride is an isothiazolinone based biocide and preservative used in personal care products. It is also implicated as an allergen. It is also used for controlling microbial growth in water-containing solution.

一般的な説明2-Methyl-4-isothiazolin-3-one hydrochloride (MIT) is a derivative of the synthetic isothiazolinone.

サプライヤー90 社

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
武汉鹏垒生物科技有限公司15871464247 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

関連反応

3 件

化合物ノート

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