Basic information
- CAS
1576-87-0- Standard SMILES
CC/C=C/C=O- InChIKey
DTCCTIQRPGSLPT-ONEGZZNKSA-N- Molecular formula
- C5H8O
- Average molar mass
- 84.12 g/mol
- Monoisotopic mass
- 84.05751488
Overview
(E)-2-pentenal is a 2-pentenal in which the double bond has (E)-configuration. It is found in cigarette smoke, virgin olive oil, and milk. It has a role as a plant metabolite.
Names & identifiers
- Preferred name
- (E)-2-Pentenal
- IUPAC
- (E)-pent-2-enal
- English name
- trans-2-Pentenal
- Molecular formula
- C5H8O
- Molecular weight
- 84.12
Names & synonyms
trans-2-Pentenal1576-87-0(E)-2-Pentenal2-(E)-Pentenal2-Pentenal, (2E)-2-Pentenal, (E)-2-Ethylacrylic aldehydeFEMA No. 32187A4R3CQA2TCHEBI:156100DTXSID80858788RefChem:906368
Show more names
FEMA 3218T2 PENTENAL2-PENTENAL(E)rans-2-Pentenal
DTXCID90210833216-414-1(E)-pent-2-enal(2E)-pent-2-enal(E)-Pent-2-en-1-alPentenal(2E)-2-Pentenaltrans-2-Penten-1-al
Database identifiers
- CAS
1576-87-0、31424-04-1、764-39-6- PubChem CID
- 5364752
- DTXSID
DTXSID80858788- ChEMBL
CHEMBL256368- ChEBI
CHEBI:156100- UNII
- 7A4R3CQA2T
- EC Number
- 216-414-1
- Nikkaji
- J127.240C、J49.956K
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 55
Physicochemical properties
- Melting point
- -101.15 °C · -101.15°C (estimate)
- Boiling point
- 80 · 80-81 °C/160 mmHg (lit.)
- Density
- 0.86 g/mL · 0.86 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.440-1.446(lit.)
- FEMA
- 3218 · 3218 | 2-PENTENAL
- Flash point
- 73 °F · 73 °F
- storage temp.
- 0 · 0-6°C
- solubility
- Chloroform (Soluble), Ethyl Acetate (Slightly), Methanol (Slightly)
- form
- Liquid
- color
- Clear colorless to yellow
- Odor
- 1 % · at 1.00 % in dipropylene glycol. pungent green fruity apple orange tomato
- Odor Type
- green
- biological source
- synthetic
- Water Solubility
- Insoluble
- Sensitive
- Air Sensitive
- BRN
- 1719742 · 1719742
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
Danger
H225 (98%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 50 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 2-Pentenal, (E)-
2-Pentenal, (2E)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesFlam. Liq. 2 (98%)
Safety data
- F
- 10
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- rtecs
- SB1560000
- ridadr
- UN 1989 3/PG 2
- hs_code
- 29121900
- Toxicity
- mic-sat 50 ng/plate EMMUEG 19,338,1992
- risk_code
- 10-36/37/38-11
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- Xi,F
Chemistry & industry
Uses & manufacturing
Use ClassificationFlavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Applications
Uses(E)-2-Pentenal, is a flavor volatile found in tomato, virgin olive oil and sardine.
General DescriptionTrans-2-Pentenal (pentenal) is an α,β-unsaturated aldehyde that increases [Ca2+] in cultured neonatal rat trigeminal ganglion (TG) neurons. The gas-phase reactions of NO3 radicals with pentenal in pure N2, using a relative rate technique, was studied.
Preparation methods
Preparation1) Add a dehydrogenation catalyst to a fixed-bed dehydrogenation reactor; 2) Under hydrogen-containing and nitrogen- or inert gas-containing conditions, control the temperature, pressure and space velocity, and introduce trans-2-pentanol from the top of the fixed-bed dehydrogenation reactor downward through a metering pump to obtain the product trans-2-pentenal.
Upstream & downstream products
Downstream products
Suppliers100 total
上海利卡斯实业有限公司19821976800 · [email protected]
梯希爱(上海)化成工业发展有限公司
Related reactions
19 records
Compound notes
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