Basic information
- CAS
626-98-2- Standard SMILES
CCC=CC(=O)O- InChIKey
YIYBQIKDCADOSF-UHFFFAOYSA-N- Molecular formula
- C5H8O2
- Average molar mass
- 100.12 g/mol
- Monoisotopic mass
- 100.0524295
Overview
RN given refers to cpd without isomeric designation; structure
Names & identifiers
- Preferred name
- 2-Pentenoic acid
- IUPAC
- pent-2-enoic acid
- English name
- TRANS-2-PENTENOIC ACID
- Molecular formula
- C5H8O2
- Molecular weight
- 100.12
Names & synonyms
Pent-2-enoic acid626-98-2DTXSID40862321CHEBI:35939RefChem:910195DTXCID30811106210-975-62-Pentenoic acidn-pentenoic acidpentaenoic acidSCHEMBL41198SCHEMBL193238
Show more names
FEMA 4193PENT-2-ENOICC2H5CH=CHCOOHPENTENOICACIDT2 PENTENOIC ACIDRARECHEM AL BK 0159(E)-2-PENTENOIC ACID(2E)-2-Pentenoic acid
SCHEMBL247439SCHEMBL503574SCHEMBL2115611SCHEMBL8880345SCHEMBL9113461SCHEMBL10840917SCHEMBL27467419RAA66642
Database identifiers
- CAS
626-98-2- PubChem CID
- 12299
- DTXSID
DTXSID40862321- EC Number
- 210-975-6
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 84.1
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Physicochemical properties
- Melting point
- 9 · 9-11 °C(lit.)
- Boiling point
- 106 °C20 · 106 °C20 mm Hg(lit.)
- Density
- 0.99 g/mL · 0.99 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.452(lit.)
- pka
- 4.76 · 4.76±0.10(Predicted)
- Odor
- 100 % · at 100.00 %. pungent fatty
- Odor Type
- cheesy
- LogP
- 1.33 · 1.33
- Substances Added to Food (formerly EAFUS)
- 2 · 2-PENTENOIC ACID
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H314-H290
- Precautionary statements
- 280 · P280-P309+P311
- Hazard Codes
- C
- Risk Statements
- 22 · 22-34
- Safety Statements
- 26 · 26-36/37/39-45
- RIDADR
- 3265 · UN 3265 8/PG 3
- WGK Germany
- 3 · 3
- HazardClass
- 8 · 8
- PackingGroup
- III
- HS Code
- 2916199590 · 2916199590
Safety & regulation
Safety data
- wgk
- 3
- ridadr
- UN 3265 8/PG 3
- hs_code
- 2916199590
- risk_code
- 22-34
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- packing_group
- III
- Hazard statements
- H302-H314-H290
- Precautionary statements
- P280-P309+P311
Chemistry & industry
Suppliers6 total
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
上海鑫凯化学科技有限公司021-58930698 15921516558 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Additional notes
DefinitionChEBI: A pentenoic acid having the double bond at position 2.
Related reactions
6 records
Compound notes
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