Basic information
- CAS
2530-10-1- Standard SMILES
CC(=O)c1cc(C)sc1C- InChIKey
PUSJAEJRDNPYKM-UHFFFAOYSA-N- Molecular formula
- C8H10OS
- Average molar mass
- 154.23 g/mol
- Monoisotopic mass
- 154.04523611
Overview
3-Acetyl-2,5-dimethylthiophene is an aromatic ketone.
Names & identifiers
- Preferred name
- 3-Acetyl-2,5-dimethylthiophene
- IUPAC
- 1-(2,5-dimethylthiophen-3-yl)ethanone
- English name
- 3-Acetyl-2,5-dimethylthiophene
- Molecular formula
- C8H10OS
- Molecular weight
- 154.23
Names & synonyms
3-Acetyl-2,5-dimethylthiophene2530-10-1DimethylthienylcetoneEthanone, 1-(2,5-dimethyl-3-thienyl)-2,5-Dimethyl-3-thienyl methyl ketone1-(2,5-Dimethyl-3-thienyl)ethanone2,5-Dimethyl-3-acetylthiopheneFEMA No. 35273-Acetyl-2,5-dimethyl thiopheneKetone, 2,5-dimethyl-3-thienyl methyl1-(2,5-dimethylthiophen-3-yl)ethan-1-oneBRN 0112095
Show more names
0/1/30FEMA 35273-Acetyl-2,5-dimethylthiophe3-Acetyl-2,5-dimethylthiophen3-Acetyl-2,4-dimethylthiaphene2.5-DIMETHYL-3-ACETYL THIOPHENE3-Acetyl-2,5-dimethylthiophene 99%ketone,2,5-dimethyl-3-thienylmethyl
UNII-VDV865T91PDimethylthienylcetone [French]VDV865T91PEINECS 219-779-5DTXSID401799463-ACETYL-2,5-DIMETHYLTHIOPHENE [FHFI]5-17-09-00444 (Beilstein Handbook Reference)RefChem:92796
Database identifiers
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 45.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 144
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Flavoring AgentsEU Flavoring substances
Boiling Point223.00 to 225.00 °C. @ 760.00 mm Hg
Physicochemical properties
- Boiling point
- 105 · 105-108 °C/15 mmHg (lit.)
- Density
- 1.086 g/mL · 1.086 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.544(lit.)
- FLAVIS Number
- 15.024 · 15.024 | 3-acetyl-2,5-dimethylthiophene
- Flash point
- 210 °F · 210 °F
- storage temp.
- Refrigerator, under inert atmosphere
- solubility
- Chloroform (Slightly), DMSO (Slightly)
- form
- Oil
- color
- Dark Yellow to Very Dark Yellow
- Specific Gravity
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
This chemical does not meet GHS hazard criteria for 87.4% (83 of 95) of all reports.
Warning
H315 (12.6%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 95 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Ethanone, 1-(2,5-dimethyl-3-thienyl)-
Regulation (EC) No 1831/2003 (amended)
Ethanone, 1-(2,5-dimethyl-3-thienyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (12.6%)
Safety data
- PPE
- Eyeshields, Gloves
- wgk
- 3
- rtecs
- OB2888000
- ridadr
- UN 3334
- hs_code
- 29349990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H315-H319-H335
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Uses & manufacturing
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Applications
DescriptionA liquid with burnt-roasted, nutty odor.
OccurrenceReported found in boiled and cooked beef.
UsesIt is used in the synthesis of heterocyclic ketimines, 3-acetyl-2,5-dimethylthiophene thiosemicarbazone and 3-acetyl-2,5- dimethylthiophene semicarbazone.
Uses3-Acetyl-2,5-dimethylthiophene was used in the synthesis of heterocyclic ketimines, 3-acetyl-2,5-dimethylthiophene thiosemicarbazone and 3-acetyl-2,5- dimethylthiophene semicarbazone.
Suppliers100 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
韶远科技(上海)有限公司4000665055 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
上海莉凯化工技术有限公司16628776521 · [email protected]
Related reactions
3 records
Compound notes
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