2,3-Dimethylbenzofuran
Basic information
- CAS
3782-00-1- Standard SMILES
Cc1oc2ccccc2c1C- InChIKey
YGBXXWTZWLALGR-UHFFFAOYSA-N- Molecular formula
- C10H10O
- Average molar mass
- 146.19 g/mol
- Monoisotopic mass
- 146.07316494
Overview
2,3-Dimethylbenzofuran is a member of benzofurans.
Names & identifiers
- Preferred name
- 2,3-Dimethylbenzofuran
- IUPAC
- 2,3-dimethyl-1-benzofuran
- English name
- 2,3-Dimethylbenzofuran
- Molecular formula
- C10H10O
- Molecular weight
- 146.19
Names & synonyms
2,3-Dimethylbenzofuran3782-00-12,3-dimethyl-1-benzofuranBenzofuran, 2,3-dimethyl-FEMA No. 3535IGH41K1QPKEINECS 223-245-7DIMETHYLBENZOFURAN, 2,3-DTXSID60631912,3-DIMETHYLBENZOFURAN [FHFI]RefChem:442516DTXCID7039410
Show more names
2,3-dimethyl-benzofura2,3-Dimethylbenzofuran,99%2 3-DIMETHYLBENZOFURAN 97+%2,3-Dimethylbenzofuran, GC 98%
223-245-72,3-DimethylcoumaroneMFCD000787082,3-dimethylbenzo[b]furan2,3-Dimethyl-Benzofuran2,3-dimethyl-1-benzouranFEMA 35352,3-Dimethyl-1-benzofuran;
Database identifiers
- CAS
3782-00-1- PubChem CID
- 2734646
- DTXSID
DTXSID6063191- ChEBI
CHEBI:173615- UNII
- IGH41K1QPK
- EC Number
- 223-245-7
- Nikkaji
- J217.680G
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 13.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 144
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
FragrancesFragrance Ingredient (2,3-Dimethylbenzofuran) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.031-1.037
Flavoring AgentsEU Flavoring substances
Solubility
Insoluble in water, Soluble in fats
Soluble (in ethanol)
Boiling Point
101.00 to 102.00 °C. @ 19.00 mm Hg
96-98 °C (15 mm Hg)
Refractive Index1.554-1.563
Physical DescriptionClear to yellow liquid; Nutty spicy aroma
Physicochemical properties
- Boiling point
- 101 · 101-102 °C19 mm Hg(lit.)
- Density
- 1.034 g/mL · 1.034 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.554(lit.)
- FEMA
- 3535 · 3535 | 2,3-DIMETHYLBENZOFURAN
- FLAVIS Number
- 13.074 · 13.074 | 2,3-Dimethylbenzofuran
- Flash point
- 187 °F · 187 °F
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Sparingly), Methanol (Slightly)
- form
- Oil
- color
- Clear Pale Yellow
- Specific Gravity
- 1.034 · 1.034
- Odor
- 1 % · at 1.00 % in dipropylene glycol. chemical phenolic smoke tobacco
- Odor Type
- phenolic
- JECFA Number
- 1495 · 1495
- LogP
- 3.59 · 3.59
- CAS DataBase Reference
- 3782 · 3782-00-1(CAS DataBase Reference)
- Substances Added to Food (formerly EAFUS)
- 2 · 2,3-DIMETHYLBENZOFURAN
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 41 K1QPK · IGH41K1QPK
- EPA Substance Registry System
- 2 · Benzofuran, 2,3-dimethyl- (3782-00-1)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- Safety Statements
- 24 · 24/25
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
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]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1375 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Benzofuran, 2,3-dimethyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Benzofuran, 2,3-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Uses & manufacturing
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing InformationBenzofuran, 2,3-dimethyl-: ACTIVE
Applications
OccurrenceReported found in coffee and roasted onion.
Uses2,3-Dimethylbenzofuran can be used as a drug storage packing containing antiviral and antibacterial properties.
Additional notes
DefinitionChEBI: 2,3-Dimethylbenzofuran is a member of benzofurans.
Related reactions
7 records
Compound notes
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