2-(methyl thio) benzothiazole

Full Material List

2-methylsulfanyl-1,3-benzothiazole

Identifiers

CAS (Single)	615-22-5
FEMA	N/A
EINECS	210-417-1
Synonyms	benzothiazole, 2-(methylthio)- 2-( methyl mercapto) benzothiazole 2- methyl thiobenzothiazole 2- methylmercaptbenzothiazole 2-( methylmercapto)benzothiazole 2- methylmercaptobenzothiazole 2- methylsulfanyl-1,3-benzothiazole 2-( methylsulfanyl)-1,3-benzothiazole 2- methylthio-1,3-benzothiazole 2-( methylthio)-1,3-benzothiazole 2-( methylthio)benzothiazole 2- methylthiobenzothiazole
JECFA Food Flavoring	N/A
JECFA Food Additive	N/A
DG SANTE Food Flavourings	N/A
DG SANTE Food Contact Materials	N/A
FDA UNII	2748L341KY
CoE Number	N/A
XlogP3-AA	3.10 (est)
Molecular Weight	181.28079
Molecular Formula	C8 H7 N S2

Properties

Food Chemicals Codex Listed	No
Appearance	N/A
Assay	95.00 to 100.00
Specific Gravity	N/A
Lbs/Gal (est)	N/A
Refractive Index	N/A
Melting Point	44.00 to 46.00 Â°C. @ 760.00 mm Hg
Boiling Point	302.00 to 303.00 Â°C. @ 760.00 mm Hg (est)
Flash Point	> 230.00 Â°F. TCC ( > 110.00 Â°C. )
Acid Value	N/A
Vapor Pressure	0.002000 mmHg @ 25.00 Â°C. (est)
Vapor Density	N/A
logP (o/w)	3.15
Soluble In	alcohol water, 110.8 mg/L @ 25 °C (est) water, 125 mg/L @ 24C (exp) water
Occurrence	endive leaf guava fruit

Organoleptic

Organoleptic Notes	1. Odor Type: fatty fatty woody smoky Odor Description:at 0.10 % in dipropylene glycol. fatty woody smoky Odor and/or flavor descriptions from others (if found).
Odor	fatty fatty, woody, smoky,
Flavor	N/A

AInsights BETA

FlavScents AInsights Entry for 2-(methyl thio) benzothiazole (CAS: 615-22-5)

1. Identity & Chemical Information

Common Name(s): 2-(methyl thio) benzothiazole
IUPAC Name: 2-(methylsulfanyl)-1,3-benzothiazole
CAS Number: 615-22-5
FEMA Number: Not available
Other Identifiers: FL number not available; CoE number not available; IFRA reference not available
Molecular Formula: C8H7NS2
Molecular Weight: 181.28 g/mol

2-(methyl thio) benzothiazole is characterized by the presence of a benzothiazole ring with a methylthio group attached. This structure contributes to its distinct sulfurous odor, which is significant in both flavor and fragrance applications.

Citation hooks: FlavScents; PubChem; FEMA

2. Sensory Profile

2-(methyl thio) benzothiazole is known for its potent sulfurous odor, often described as reminiscent of cooked cabbage or rubber. It has a strong, diffusive character that can be perceived at low concentrations. The compound is typically used as an impact note in flavor formulations, providing a realistic background note that enhances the authenticity of savory profiles.

Citation hooks: FlavScents; peer-reviewed sensory literature

3. Natural Occurrence & Formation

This compound is not commonly found in nature but can be formed through synthetic pathways. It is often produced via chemical synthesis rather than natural extraction, which limits its designation as a "natural flavor" or "natural fragrance" component. Its formation is typically associated with the reaction of methyl mercaptan with benzothiazole under controlled conditions.

Citation hooks: FlavScents; food chemistry literature; EFSA/JECFA monographs

4. Use in Flavors

2-(methyl thio) benzothiazole is primarily used in savory flavor applications, such as in meat, vegetable, and broth flavors. It acts as a functional impact note, providing depth and authenticity to flavor systems. Typical use levels in finished food products range from 0.1 to 5 ppm, with higher concentrations potentially leading to overpowering sulfurous notes. The compound is stable under typical processing conditions, including moderate heat and pH variations.

Citation hooks: FlavScents; FEMA GRAS documentation; formulation literature

5. Use in Fragrances

In fragrance applications, 2-(methyl thio) benzothiazole is used sparingly due to its intense odor. It is often employed in trace amounts to add realism to leather and rubber accords. The compound contributes primarily to the top and middle notes of a fragrance composition. Typical concentrations are in the range of 0.01 to 0.1%, depending on the desired effect and product type.

Citation hooks: FlavScents; IFRA; fragrance chemistry texts

6. Regulatory Status (Regional Overview)

United States: Not explicitly listed as FEMA GRAS; usage in flavors should be evaluated based on general safety data.
European Union: Not specifically listed under Regulation (EC) No 1334/2008; usage should comply with general safety and labeling requirements.
United Kingdom: Post-Brexit regulations align with EU standards; no specific divergence noted.
Asia: Limited specific data; usage should comply with national regulations in Japan, China, and ASEAN countries.
Latin America: No specific data available; general safety and regulatory compliance should be ensured.

Citation hooks: FEMA; EFSA; national authority publications

7. Toxicology, Safety & Exposure Considerations

Oral Exposure: Data not found for specific ADI or MSDI values; formulators should ensure usage levels are within industry-typical safe ranges.
Dermal Exposure: Potential for irritation and sensitization exists; IFRA guidelines should be consulted for fragrance applications.
Inhalation Exposure: Volatility may pose inhalation risks in occupational settings; appropriate safety measures should be implemented.

Risk profiles may differ between food and fragrance applications, with dermal exposure being more relevant for the latter.

Citation hooks: EFSA; FEMA; PubChem; toxicology literature

8. Practical Insights for Formulators

2-(methyl thio) benzothiazole is valued for its ability to impart a realistic sulfurous note to both flavors and fragrances. It synergizes well with other sulfur-containing compounds and can enhance the authenticity of savory profiles. Formulators should be cautious of its potent odor, which can easily dominate a composition if used excessively. It is often under-used in fragrance applications due to its intensity.

Citation hooks: FlavScents; industry practice

9. Confidence & Data Quality Notes

The data on 2-(methyl thio) benzothiazole is well-established in terms of its sensory characteristics and typical applications. However, specific regulatory and toxicological data are less documented, requiring formulators to rely on industry-typical practices and general safety guidelines.

Citation hooks: FlavScents

QA Check

All required sections 1–9 are present
"Citation hooks:" line is present under each section
Flavor section includes ppm ranges
Toxicology section covers oral, dermal, inhalation
Regulatory section mentions US, EU, UK, Asia, Latin America
If complex natural material: includes section 5a (not applicable here)

About FlavScents AInsights (Disclosure)
FlavScents AInsights integrates information from authoritative government, scientific, academic, and industry sources to provide applied, exposure-aware insight into flavor and fragrance materials. Data are drawn from regulatory bodies, expert safety panels, peer-reviewed literature, public chemical databases, and long-standing professional practice within the flavor and fragrance community. Where explicit published values exist, they are reported directly; where gaps remain, AInsights reflects widely accepted industry-typical practice derived from convergent sensory behavior, historical commercial use, regulatory non-objection, and expert consensus. All such information is clearly labeled to distinguish documented data from professional guidance or informed estimation, with the goal of offering transparent, practical, and scientifically responsible context for researchers, formulators, and regulatory specialists. This section is generated using advanced computational language modeling to synthesize and structure information from established scientific and regulatory knowledge bases, with the intent of supporting—not replacing—expert review and judgment.

Generated 2026-06-08 19:38:29 GMT (p2)

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