ChemicalBook--->CAS DataBase List--->13991-37-2

13991-37-2

13991-37-2 Structure

13991-37-2 Structure
IdentificationMore
[Name]

TRANS-2-PENTENOIC ACID
[CAS]

13991-37-2
[Synonyms]

2-PENTENOIC ACID
BETA-ETHYL ACRYLIC ACID
(E)-2-PENTENOIC ACID
FEMA 4193
PENT-2-ENOIC ACID
RARECHEM AL BK 0159
T2 PENTENOIC ACID
TRANS-2-PENTENOIC ACID
TRANS-PENT-2-ENOIC ACID
(E)-pent-2-en-1-oicacid
2-Pentenoic acid, (E)-
2-Pentenoicacid,(E)-
2-Pentenoic acid, 98%, predominantly trans
trans-Pent-2-enoic acid, 98+%
2-Pentenoic acid, (2E)-
Pent-2-enoic acid 97%
trans-2-Pentenoic acid, 98+%
[EINECS(EC#)]

237-791-9
[Molecular Formula]

C5H8O2
[MDL Number]

MFCD00002704
[Molecular Weight]

100.12
[MOL File]

13991-37-2.mol
Chemical PropertiesBack Directory
[Appearance]

clear colorless to light yellow liquid
[Melting point ]

9-11 °C(lit.)
[Boiling point ]

106 °C20 mm Hg(lit.)
[density ]

0.99 g/mL at 25 °C(lit.)
[FEMA ]

4193
[refractive index ]

n20/D 1.452(lit.)
[Fp ]

102 °C
[storage temp. ]

Store below +30°C.
[solubility ]

60g/l
[form ]

Liquid
[pka]

pK1:4.70 (25°C)
[color ]

Clear colorless to light yellow
[Odor]

at 100.00 %. acidic feta cheese buttery
[biological source]

synthetic
[explosive limit]

1.6%(V)
[Odor Type]

cheesy
[JECFA Number]

1804
[BRN ]

1720312
[InChI]

1S/C5H8O2/c1-2-3-4-5(6)7/h3-4H,2H2,1H3,(H,6,7)/b4-3+
[InChIKey]

YIYBQIKDCADOSF-ONEGZZNKSA-N
[SMILES]

[H]\C(CC)=C(\[H])C(O)=O
[LogP]

1.333 (est)
[CAS DataBase Reference]

13991-37-2(CAS DataBase Reference)
[EPA Substance Registry System]

2-Pentenoic acid, (2E)- (13991-37-2)
Safety DataBack Directory
[Hazard Codes ]

C
[Risk Statements ]

R22:Harmful if swallowed.
R34:Causes burns.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
[RIDADR ]

UN 3265 8/PG 3
[WGK Germany ]

3
[RTECS ]

SB2750000
[Hazard Note ]

Harmful/Corrosive
[HazardClass ]

8
[PackingGroup ]

III
[HS Code ]

29161900
[Storage Class]

8A - Combustible corrosive hazardous materials
[Hazard Classifications]

Skin Corr. 1B
Hazard InformationBack Directory
[Chemical Properties]

clear colorless to light yellow liquid
[Chemical Properties]

Colorless liquid; sour caramellic aroma.
[Occurrence]

Reported found in banana and beer.
[Uses]

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.
[Definition]

ChEBI: A pent-3-enoic acid in trans- configuration.
[Aroma threshold values]

Medium strength odor, cheese type; recommend smelling in a 1% solution or less.
[Taste threshold values]

Sour acetic buttery taste at 25 ppm in water.
Spectrum DetailBack Directory
[Spectrum Detail]

TRANS-2-PENTENOIC ACID(13991-37-2)MS
TRANS-2-PENTENOIC ACID(13991-37-2)1HNMR
TRANS-2-PENTENOIC ACID(13991-37-2)13CNMR
TRANS-2-PENTENOIC ACID(13991-37-2)IR1
TRANS-2-PENTENOIC ACID(13991-37-2)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

trans-2-Pentenoic acid, 97%(13991-37-2)
[Alfa Aesar]

trans-2-Pentenoic acid, 90+%, remainder other isomers(13991-37-2)
[Sigma Aldrich]

13991-37-2(sigmaaldrich)
[TCI AMERICA]

trans-2-Pentenoic Acid,>95.0%(GC)(13991-37-2)
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