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.
定义
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.
来源: PubChem
美国FDA 物质登记 · UNII HRA0F1A4R3 · 登记名称 Benzisothiazolinone · 单一化学物质
化妆品中的作用
安全与法规参考
韩国有毒物质 GHS 分类: 危险 · H410 (第1类) · H400 (第1类) · H315 (第2类) · 另有 4 项
SCCS opinion: Opinion on Benzisothiazolinone; Opinion on Benzisothiazolinone P96
来源: 欧盟 CosIng 成分清单
详细资料——标示名称、识别编号、物性、试验记录、文献
别名和识别信息
- CAS No.化学物质登记号
- 2634-33-5
- EC No.欧盟化学品目录编号
- 220-120-9
- DTXSID美国EPA化学品编号
- DTXSID5032523
- DTXCID美国EPA化合物编号
- DTXCID3012523
- IUPAC
- 1,2-Benzothiazol-3(2H)-one
- 分子式
- C7H5NOS
- 分子量
- 151.18 g/mol
实测物性
- 性状
- CBI · Solid
- 沸点
- 327.6 °C
- 熔点
- 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
- 稳定性
- Stable under recommended storage conditions.
- 熔点/凝固点
- 159.5~160 ℃
- 初沸点和沸程
- 327.6 ℃
- 蒸气压
- 0.0000257 ㎜Hg (25℃ (估算值))
- 正辛醇/水分配系数(Kow)
- 0.64 (估算值)
- 分子量
- 151.9
这是对物质本身测得的数值。韩国安全保健公团(KOSHA)的资料仅供编写和审核安全数据表参考,并非原料商品的规格。
来源: PubChem · 韩国安全保健公团 安全数据表
产品实际使用的用途
这是向美国 EPA 申报含该成分的 514 款产品的用途。其中包括化妆品以外的产品,排在前几行的即为该成分的主要用途。
- Preservative451
- Biocide35
- Processing aids not otherwise specified10
- Stabilizing agent4
- Antioxidant2
- Binder2
- Degradant/impurity (EPA)2
- Fragrance2
其余用途 5 项
- Sealant (barrier)2
- Adhesion/cohesion promoter1
- Soil amendments1
- Anti-adhesive/cohesive1
- Defoamer1
来源: 美国EPA CompTox
刺激与致敏试验记录
记录有皮肤试验 11 项、眼部试验 4 项。
试验结论基本一致(100%)。 这是对原料本身的试验记录,与成品中所含浓度下的刺激性不同。
查看全部 15 项试验
- 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
来源: 美国EPA CompTox
相关文献
- 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