259276
2-Pentenoic acid
predominantly trans, 98%
Synonym(s):
trans-2-Pentenoic acid
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About This Item
Linear Formula:
C2H5CH=CHCO2H
CAS Number:
Molecular Weight:
100.12
Beilstein:
1720312
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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Quality Level
Assay
98%
form
liquid
impurities
10% cis isomer (maximum)
refractive index
n20/D 1.452 (lit.)
bp
106 °C/20 mmHg (lit.)
mp
9-11 °C (lit.)
density
0.99 g/mL at 25 °C (lit.)
functional group
carboxylic acid
SMILES string
[H]\C(CC)=C(\[H])C(O)=O
InChI
1S/C5H8O2/c1-2-3-4-5(6)7/h3-4H,2H2,1H3,(H,6,7)/b4-3+
InChI key
YIYBQIKDCADOSF-ONEGZZNKSA-N
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Application
2-Pentenoic acid has been used in preparation of new nonsteroidal human androgen receptor (hAR) agonists from an hAR antagonist pharmacophore, 2(1H)-piperidino[3,2-g]quinolinone.
Signal Word
Danger
Hazard Statements
Precautionary Statements
Hazard Classifications
Skin Corr. 1B
Storage Class Code
8A - Combustible corrosive hazardous materials
WGK
WGK 3
Flash Point(F)
215.6 °F - closed cup
Flash Point(C)
102 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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