Basic information
- CAS
5724-81-2- Standard SMILES
C1=NCCC1- InChIKey
ZVJHJDDKYZXRJI-UHFFFAOYSA-N- Molecular formula
- C4H7N
- Average molar mass
- 69.11 g/mol
- Monoisotopic mass
- 69.05784922
Overview
1-pyrroline is a pyrroline and an imine. It is a conjugate base of a 1-pyrrolinium.
Names & identifiers
- Preferred name
- 1-Pyrroline
- IUPAC
- 3,4-dihydro-2H-pyrrole
- English name
- 3,4-dihydro-2H-pyrrole
- Molecular formula
- C4H7N
- Molecular weight
- 69.11
Names & synonyms
1-Pyrroline3,4-Dihydro-2H-pyrrole5724-81-22H-Pyrrole, 3,4-dihydro-delta(1)-PyrrolineISOPYRROLINECHEBI:190922SK2I7766OFEMA NO. 3898DTXSID10863608delta-pyrroliniumRefChem:77214
Show more names
DTXCID30219007227-230-6EINECS 227-230-6UNII-2SK2I7766O.DELTA.1-PYRROLINESCHEMBL9248SCHEMBL92491-PYRROLINE [FHFI]
Database identifiers
- CAS
5724-81-2- PubChem CID
- 79803
- DTXSID
DTXSID10863608- ChEBI
CHEBI:19092- UNII
- 2SK2I7766O
- EC Number
- 227-230-6
- Nikkaji
- J26.032K
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 12.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 47.6
Experimental & physicochemical properties
SpringerMaterials PropertiesCoriolis coupling
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.849-0.855
Flavoring AgentsEU Flavoring substances
Solubility
Soluble in water
Soluble (in ethanol)
Boiling Point
87.00 to 89.00 °C. @ 760.00 mm Hg
87-89 °C
Refractive Index1.440-1.446
Physical Description
Solid
Colourless liquid; Pungent ammoniacal odour
Physicochemical properties
- Melting point
- 96 · 96-102 °C
- Boiling point
- 113.7 · 113.7±13.0 °C(Predicted)
- Density
- 0.95 · 0.95±0.1 g/cm3(Predicted)
- FLAVIS Number
- 14.167 · 14.167 | 1-Pyrroline
- FEMA
- 3898 · 3898 | 1-PYRROLINE
- pka
- 7.81 · 7.81±0.20(Predicted)
- Odor
- 0.1 % · at 0.10 % in propylene glycol. ammoniacal shrimp seafood
- Odor Type
- ammoniacal
- JECFA Number
- 1603 · 1603
- Henry's Law Constant
- 1.6 · 1.6×100 mol/(m3Pa) at 25℃, Amoore and Buttery (1978)
- LogP
- -0.78 · -0.78
- Substances Added to Food (formerly EAFUS)
- 1 · 1-PYRROLINE
- FDA UNII
- 2 SK2I7766O · 2SK2I7766O
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Danger
- Hazard statements
- 225 · H225-H302-H315-H319-H335
- Precautionary statements
- 210 · P210-P280-P305+P351+P338
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (89 of 89) of all reports.
Not Classified
Aggregated GHS information provided per 89 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Hazard Classes and CategoriesNot Classified
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07
- Hazard statements
- H225-H302-H315-H319-H335
- Precautionary statements
- P210-P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Applications
OccurrenceReported present in clam and squid.
UsesIt is used in the Biological study and evaluation of aliphatic and aromatic amines and amides as flavoring materials.
Preparation methods
PreparationBy acid hydrolysis of 4-aminobutyraldehyde diethyl acetal.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers5 total
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
山东博洛达生物科技有限公司0531-68659041 · [email protected]
Additional notes
DefinitionChEBI: 1-pyrroline is a pyrroline and an imine. It is a conjugate base of a 1-pyrrolinium.
Related reactions
5 records
Compound notes
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