1-Ethyl-2-pyrrolecarboxaldehyde

HCID 579338
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
2167-14-8
Standard SMILES
CCn1cccc1C=O
InChIKey
DVLGEHCERRWDIX-UHFFFAOYSA-N
Molecular formula
C7H9NO
Average molar mass
123.15 g/mol
Monoisotopic mass
123.06841391

Names & identifiers

Preferred name
1-Ethyl-2-pyrrolecarboxaldehyde
IUPAC
1-ethylpyrrole-2-carbaldehyde
English name
1-Ethyl-1H-pyrrole-2-carbaldehyde
Molecular formula
C7H9NO
Molecular weight
123.15

Names & synonyms

1-Ethyl-1H-pyrrole-2-carbaldehyde1-Ethyl-1H-pyrrole-2-carboxaldehyde1H-Pyrrole-2-carboxaldehyde, 1-ethyl-1-Ethyl-2-formylpyrroleTea pyrrole1-Ethyl-2-pyrrolecarboxaldehydeUNII-51J1CE738Y1-Ethylpyrrole-2-aldehyde1-Ethyl-2-formyl-1H-pyrroleFEMA No. 4317N-ETHYL-2-FORMYLPYRROLEN-Ethylpyrrole-2-carboxaldehyde
Show more names
Teapylrole1-ethylpyrrole-2-carbaldehyde2-Formyl-1-ethylpyrrole1-ethyl-1H-pyrrole-2-carbaldehyde (SALTDATA: FREE)
51J1CE738YPyrrole-2-carboxaldehyde, 1-ethyl-1-Ethyl-1H-pyrrole-2-carboxyaldehyde1-ETHYL-2-PYRROLECARBOXALDEHYDE [FHFI]DTXSID801760551-ETHYLPYRROLE-2-CARBOXALDEHYDERefChem:757331-ethyl-2-formyl pyrrole

Database identifiers

CAS
2167-14-8
PubChem CID
579338
DTXSID
DTXSID80176055
ChEBI
CHEBI:173336
UNII
51J1CE738Y
EC Number
639-017-9
Nikkaji
J121.844A

Properties

Computed structural properties

XLogP
0.8
Topological polar surface area
22 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
9

Experimental & physicochemical properties

Density1.033 - 1.039
Solubility · 2 items

Practically insoluble to insoluble in water

Soluble (in ethanol)

Boiling Point · 2 items

204.00 to 206.00 °C. @ 760.00 mm Hg

204-206º

Refractive Index1.541 - 1.547
Physical DescriptionClear colorless to yellow liquid; burnt smokey aroma
Kovats Retention Index · 2 items

1067；1039；1046

1610；1610；1610；1610；1616；1566；1562

Physicochemical properties

Boiling point
59 °C · 59 °C(Press: 6 Torr)
Density
0.99 · 0.99±0.1 g/cm3(Predicted)
FLAVIS Number
14.169 · 14.169 | 1-Ethyl-2-pyrrolecarboxaldehyde
FEMA
4317 · 4317 | 1-ETHYL-2-PYRROLECARBOXALDEHYDE
storage temp.
Refrigerator, under inert atmosphere
solubility
Chloroform (Slightly), Methanol (Slightly)

Safety & regulation

GHS classification

GHS Classification · 5 items

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.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory InformationCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Hazard Classes and CategoriesAcute Tox. 4 (100%)

Regulatory information

Regulatory InformationCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

Safety data

hs_code
2933998090
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302
Precautionary statements
P264-P270-P301+P312-P330-P501

Chemistry & industry

Pharmacology

Cellular LocationsCytoplasm；Extracellular

Uses & manufacturing

Use Classification · 2 items

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Upstream & downstream products

Suppliers68 total

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]

Additional notes

DefinitionChEBI: 1-Ethyl-1H-pyrrole-2-carboxaldehyde is an arenecarbaldehyde.

Related reactions

4 records
New reaction record

Compound notes

Loading…