Basic information
- CAS
15679-13-7- Standard SMILES
Cc1csc(C(C)C)n1- InChIKey
OFLXNHNYPQPQKW-UHFFFAOYSA-N- Molecular formula
- C7H11NS
- Average molar mass
- 141.24 g/mol
- Monoisotopic mass
- 141.06122053
Overview
2-isopropyl-4-methylthiazole is a 1,3-thiazole that is substituted at positions 2 and 4 by isopropyl and methyl groups, respectively. A fruit flavour intensifier, it has a peach flavour with distinct vegetable and tropical notes. Also used in apricot, nectarine, durian, mango, pear and blackcurrant flavours. Present in Indonesian durian fruit (Durio zibethinus), red tomatoes, yeast extract, coriander seed oil, and roast meats. It has a role as a flavouring agent and a Maillard reaction product.
Names & identifiers
- Preferred name
- 2-Isopropyl-4-methylthiazole
- IUPAC
- 4-methyl-2-propan-2-yl-1,3-thiazole
- English name
- 2-Isopropyl-4-methyl thiazole
- Molecular formula
- C7H11NS
- Molecular weight
- 141.23
Names & synonyms
2-Isopropyl-4-methylthiazole15679-13-7Thiazole, 4-methyl-2-(1-methylethyl)-tropical thiazole4-Methyl-2-(1-methylethyl)thiazoleThiazole, 2-isopropyl-4-methyl-FEMA No. 3555peach thiazole4-methyl-2-propan-2-yl-1,3-thiazole2-Isopropyl-4-methyl-1,3-thiazole4-methyl-2-(propan-2-yl)-1,3-thiazoleisopropyl methyl thiazole
Show more names
FEMA NUMBER 35552-Isopropyl-4-Mehtyl thiazoleThiazole, 4-methyl-2-isopropyl2-Isopropyl-4-methytl thiazole
NQF7JO3MUPFEMA 3555EINECS 239-758-44-Methyl-2-isopropylthiazoleDTXSID0047664CHEBI:1336792-ISOPROPYL-4-METHYLTHIAZOLE [FHFI]RefChem:473894
Database identifiers
- CAS
15679-13-7- PubChem CID
- 61808
- DTXSID
DTXSID0047664- ChEBI
CHEBI:133679
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 92.9
Experimental & physicochemical properties
FragrancesFragrance Ingredient (2-Isopropyl-4-methylthiazole) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.001-1.006
Flavoring AgentsEU Flavoring substances
Solubility
Slightly soluble in water; Miscible in fats
Miscible at room temperature (in ethanol)
Boiling Point92 °C (50 mm Hg)
Refractive Index1.480-1.502
Physical DescriptionColourless to pale yellow liquid; green, herbaceous, vegetable, earthy odour
Physicochemical properties
- Boiling point
- 92 °C50 · 92 °C50 mm Hg(lit.)
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
H226 (10.2%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P317, P303+P361+P353, P330, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1753 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Thiazole, 4-methyl-2-(1-methylethyl)-
Regulation (EC) No 1831/2003 (amended)
Thiazole, 4-methyl-2-(1-methylethyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesFlam. Liq. 3 (10.2%)
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1993 3/PG 3
- hs_code
- 29341000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37/39-37/39
- hazard_class
- 3
- Storage Class
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Uses & manufacturing
Household ProductsInformation on 1 consumer products that contain 2-Isopropyl-4-methylthiazole in the following categories is provided:
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationThiazole, 4-methyl-2-(1-methylethyl)-: ACTIVE
Applications
Description2-Isopropyl-4-methylthiazole is green, vegetable, nutty, rooty, and earthy.
OccurrenceReported found in roasted meat, fried potato, tomato, oat g
Uses2-Isopropyl-4-methyl thiazole is used as a flavoring agent in edible flavorings such as peach, mango, and passion fruit.
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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