Basic information
- CAS
53498-30-9- Standard SMILES
Cc1nc(C(C)C)sc1C- InChIKey
GDYKEHYOOVICQZ-UHFFFAOYSA-N- Molecular formula
- C8H13NS
- Average molar mass
- 155.26 g/mol
- Monoisotopic mass
- 155.07687059
Names & identifiers
- Preferred name
- 2-Isopropyl-4,5-dimethylthiazole
- IUPAC
- 4,5-dimethyl-2-propan-2-yl-1,3-thiazole
- English name
- 4,5-Dimethyl-2-isopropyl thiazole
- Molecular formula
- C8H13NS
- Molecular weight
- 155.26
Names & synonyms
2-ISOPROPYL-4,5-DIMETHYLTHIAZOLE4,5-DIMETHYL-2-ISOPROPYLTHIAZOLE4,5-dimethyl-2-(propan-2-yl)-1,3-thiazole2-Isopropyl-4,5-dimethyl-1,3-thiazoleUNII-WYM46TUJ40WYM46TUJ404,5-Dimethyl-2-(1-methylethyl)thiazoleThiazole, 4,5-dimethyl-2-(1-methylethyl)-DTXSID902017014,5-Dimethyl-2-(1-methylethyl)thiazole, 9CIRefChem:87725DTXCID80124192
Show more names
4,5-dimethyl-2-(1-methylethyl)4,5-dimethyl-2-propan-2-ylthiazole4,5-DIMETHYL-2-(METHYLETHYL)-1,3-THIAZOLE4,5-DIMETHYL-2-ISOPROPYL THIAZOLE USP/EP/BP
GDYKEHYOOVICQZ-UHFFFAOYSA-N53498-30-94,5-Dimethyl-2-isopropyl thiazole4,5-dimethyl-2-propan-2-yl-1,3-thiazole4.5-Dimethyl-2-isopropyl thiazole2-iso-Propyl-4,5-dimethylthiazole4,5-Dimethyl-2-isopropyl-thiazoleThiazole, 4,5-dimethyl-2-isopropyl
Database identifiers
- CAS
53498-30-9- PubChem CID
- 40787
- DTXSID
DTXSID90201701- UNII
- WYM46TUJ40
- EC Number
- 671-357-3
- Nikkaji
- J1.621.385C
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 114
Experimental & physicochemical properties
Flavoring AgentsEU Flavoring substances
Physicochemical properties
- Density
- 1.003 g/ml · 1.003g/ml
- FLAVIS Number
- 15.08 · 15.080 | 2-Isopropyl-4,5-dimethylthiazole
- storage temp.
- 2 · 2-8°C
- LogP
- 1.715 · 1.715 (est)
- CAS DataBase Reference
- 53498 · 53498-30-9(CAS DataBase Reference)
- FDA UNII
- 46 TUJ40 · WYM46TUJ40
- NIST Chemistry Reference
- 2 · 2-Isopropyl-4,5-dimethylthiazole(53498-30-9)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H302-H312-H332-H315-H319
- Precautionary statements
- 261 · P261-P271-P304+P340-P312-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Thiazole, 4,5-dimethyl-2-(1-methylethyl)-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Thiazole, 4,5-dimethyl-2-(1-methylethyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H302-H312-H332-H315-H319
- Precautionary statements
- P261-P271-P304+P340-P312-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Suppliers26 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
石家庄利达化学品有限公司+86 (311) 8573-7996 · [email protected]
Xiamen AmoyChem Co., Ltd+86-86-5926051114 · [email protected]
深圳康特腾科技有限公司86-0755-86635001 · [email protected]
越林试剂021-62960152 · [email protected]
上海孚一生物科技有限公司+86 (21) 61124340
盐城希曼生物科技有限公司0515-88280676; 18921872653 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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