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.
Definition
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.
Source: PubChem
US FDA substance register · UNII HRA0F1A4R3 · registered name Benzisothiazolinone · single chemical substance
Cosmetic roles
Safety & regulatory references
Korea’s toxic-substance GHS classification: Danger · H410 (category 1) · H400 (category 1) · H315 (category 2) · +4 more
SCCS opinion: Opinion on Benzisothiazolinone; Opinion on Benzisothiazolinone P96
Source: EU CosIng ingredient list
More data — names, identifiers, properties, test records, literature
Names & identifiers
- CAS No.chemical registry number
- 2634-33-5
- EC No.EU chemical inventory number
- 220-120-9
- DTXSIDUS EPA chemical ID
- DTXSID5032523
- DTXCIDUS EPA compound ID
- DTXCID3012523
- IUPAC
- 1,2-Benzothiazol-3(2H)-one
- Molecular formula
- C7H5NOS
- Molecular weight
- 151.18 g/mol
Measured properties
- Appearance
- CBI · Solid
- Boiling point
- 327.6 °C
- Melting point
- 156.6 °C · 157 - 158 °C
- Solubility
- 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)
- Density
- 1.483 g/cu cm at 20 °C
- Stability
- Stable under recommended storage conditions.
- Melting/freezing point
- 159.5~160 ℃
- Initial boiling point and range
- 327.6 ℃
- Vapour pressure
- 0.0000257 ㎜Hg (25℃ (est.))
- n-Octanol/water partition coefficient (Kow)
- 0.64 (est.)
- Molecular weight
- 151.9
Values measured on the substance itself. The KOSHA data are a reference for writing and reviewing safety data sheets, not a specification for a commercial raw material.
Source: PubChem · KOSHA safety data sheets (Korea)
What products actually use it for
What the 514 products reported to the US EPA with this ingredient use it for. Products outside cosmetics are included, so the top few rows are its main uses.
- Preservative451
- Biocide35
- Processing aids not otherwise specified10
- Stabilizing agent4
- Antioxidant2
- Binder2
- Degradant/impurity (EPA)2
- Fragrance2
5 other uses
- Sealant (barrier)2
- Adhesion/cohesion promoter1
- Soil amendments1
- Anti-adhesive/cohesive1
- Defoamer1
Source: US EPA CompTox dashboard
Irritation and sensitisation studies
11 skin studies and 4 eye studies are on record.
The study conclusions largely agree (100%). These tests are on the raw material itself; irritation at the amount in a finished product is a different question.
See all 15 studies
- 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
Source: US EPA CompTox dashboard
Related literature
- 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
Linked databases 15
- Australian Industrial Chemicals Inventory (AICIS)
- ChEBI
- EU CosIng ingredient list 2
- EU SCCS safety opinions 2
- Korea toxic substances GHS register (NIER)
- KOSHA safety data sheets (Korea)
- PubChem 2
- Tlooto literature search 2 3 4 5
- UniChem cross-reference IDs
- US EPA CompTox dashboard 2
- US EPA DSSTox chemical database
- US FDA substance registration (GSRS)
- US FDA Unique Ingredient Identifier (UNII)
- Wikidata
- Wikipedia · English