Benzo[d]isothiazol-3-one is an organic heterobicyclic compound based on a fused 1,2-thiazole and benzene bicyclic ring skeleton, with the S atom positioned adjacent to one of the positions of ring fusion.
定義
Benzo[d]isothiazol-3-one is an organic heterobicyclic compound based on a fused 1,2-thiazole and benzene bicyclic ring skeleton, with the S atom positioned adjacent to one of the positions of ring fusion. It has a role as a sensitiser, a xenobiotic, a disinfectant, a platelet aggregation inhibitor, an environmental contaminant and a drug allergen. It is an organic heterobicyclic compound and an organonitrogen heterocyclic compound.
出典: PubChem
米国FDA 物質登録 · UNII HRA0F1A4R3 · 登録名 Benzisothiazolinone · 単一の化学物質
化粧品での役割
安全性・規制情報
韓国の有害物質GHS分類: 危険 · H410 (区分1) · H400 (区分1) · H315 (区分2) · ほか4件
SCCS opinion: Opinion on Benzisothiazolinone; Opinion on Benzisothiazolinone P96
出典: EU CosIng 成分リスト
詳しい資料 — 表示名・識別番号・物性・試験記録・文献
別名・識別情報
- CAS No.化学物質登録番号
- 2634-33-5
- EC No.EU化学物質目録番号
- 220-120-9
- DTXSID米国EPA化学物質番号
- DTXSID5032523
- DTXCID米国EPA化合物番号
- DTXCID3012523
- IUPAC
- 1,2-Benzothiazol-3(2H)-one
- 分子式
- C7H5NOS
- 分子量
- 151.18 g/mol
測定された物性
- 性状
- CBI · Solid
- 沸点
- 327.6 °C
- 融点
- 156.6 °C · 157 - 158 °C
- 溶解性
- In water, 1.1 g/L at 20 °C, 0.938 g/L at 20 °C and pH 4.8, 1.288 g/L at 20 deg and pH 6.7, 1.651 g/L at 20 °C at pH 9.1, 1.198 g/L at 30 °C pH 4.8 · 21.7 [ug/mL] (The mean of the results at pH 7.4)
- 密度
- 1.483 g/cu cm at 20 °C
- 安定性
- Stable under recommended storage conditions.
- 融点・凝固点
- 159.5~160 ℃
- 初留点および沸点範囲
- 327.6 ℃
- 蒸気圧
- 0.0000257 ㎜Hg (25℃ (推定値))
- n-オクタノール/水分配係数（Kow）
- 0.64 (推定値)
- 分子量
- 151.9
物質そのものを測定した値です。安全保健公団（KOSHA）の資料はSDS作成・確認の参考用で、原料商品の規格ではありません。
出典: PubChem · 韓国安全保健公団 SDS
製品が実際に使っている用途
米国EPAにこの成分を届け出た製品514件の用途です。化粧品以外の製品も含まれるため、上の数行がこの成分の主な使い道といえます。
- Preservative451
- Biocide35
- Processing aids not otherwise specified10
- Stabilizing agent4
- Antioxidant2
- Binder2
- Degradant/impurity (EPA)2
- Fragrance2
その他の用途 5件
- Sealant (barrier)2
- Adhesion/cohesion promoter1
- Soil amendments1
- Anti-adhesive/cohesive1
- Defoamer1
出典: 米国EPA CompTox
刺激・感作試験の記録
皮膚試験11件・眼試験4件の記録があります。
試験の結論はおおむね一致しています（100%）。 原料そのものを試験した記録で、完成品に含まれる濃度での刺激性とは異なります。
試験15件をすべて見る
- Category 1A
Skin Sensitization · Screening - High Frequency of Sensitization
skin sensitisation: in vivo (non-LLNA) · Screening · according to OECD Guideline 406 (Skin Sensitisation) - Skin sensitization - Category 1
Skin Sensitization · Screening - Category 6.3B (Category 3)
Skin Irritation · Read Across - Category 6.5B (Category 1)
Skin Sensitization · Read Across - Sh
Skin Sensitization · Authoritative - Category 6.3A (Category 2)
Skin Irritation · Read Across - Skin corrosion/irritation - Category 2
Skin Irritation · Screening - Skin Irrit. 2
Skin Irritation · Authoritative - Skin Sens. 1
Skin Sensitization · Authoritative - Category 2
Skin Irritation · Screening - Category 1
Eye Irritation · Screening - Serious eye damage/eye irritation - Category 1
Eye Irritation · Screening - Category 8.3A (Category 1)
Eye Irritation · Read Across - Eye Dam. 1
Eye Irritation · Authoritative
出典: 米国EPA CompTox
関連文献
- Development of a Generic Analysis Method for Isothiazolinones in Consumer Products Prompted by Increased Sensitisation to Benzisothiazolinone · 2026
- Preparation and antibacterial properties of benzisothiazolinone quaternized chitosan derivatives for sustainable fuel preservation. · 2025
- Benzisothiazolinone: Pharmacokinetics, Tissue Distribution, and Mass Balance Studies in Rats · 2023
- Analytical Method Development of Benzisothiazolinone, a Biocide, Using LC–MS/MS and a Pharmacokinetic Application in Rat Biological Matrices · 2023
- Current prevalence and relevance of positive patch test reactions to cosmetic and noncosmetic isothiazolinones in the UK · 2021