ChemicalBook--->CAS DataBase List--->497-03-0

497-03-0

497-03-0 Structure

497-03-0 Structure
IdentificationMore
[Name]

TRANS-2-METHYL-2-BUTENAL
[CAS]

497-03-0
[Synonyms]

2-METHYL-2-BUTENAL
FEMA 3407
TIGLALDEHYDE
TIGLIC ALDEHYDE
TIGLINALDEHYDE
TRANS-2,3-DIMETHYLACROLEIN
TRANS-2-METHYL-2-BUTENAL
(2E)-2-Methyl-2-butenal
(E)-2-Methyl-2-butenal
(E)-2-methylbut-2-en-1-al
(E)-2-methylbut-2-enal
2,2-Dimethylacrolein
2-Butenal,2-methyl-,(2E)-
2-Butenal,2-methyl-,(E)-
2-methyl-(E)-2-butenal
2-methyl-,(E)-2-Butenal
2-methyl-2(E)-butenal
2-Methyl-2-butenal, (E)
2-Methyl-2-butenal, trans
2-Methylcrotonaldehyde
[EINECS(EC#)]

207-833-0
[Molecular Formula]

C5H8O
[MDL Number]

MFCD00006977
[Molecular Weight]

84.12
[MOL File]

497-03-0.mol
Chemical PropertiesBack Directory
[Appearance]

clear colorless to yellow liquid
[Melting point ]

-101.15°C (estimate)
[Boiling point ]

116-119 °C752 mm Hg(lit.)
[density ]

0.871 g/mL at 25 °C(lit.)
[FEMA ]

3407
[refractive index ]

n20/D 1.448(lit.)
[Fp ]

65 °F
[storage temp. ]

Flammables area
[solubility ]

soluble in Chloroform
[form ]

Liquid
[color ]

Clear colorless to yellow
[Odor]

at 0.10?%?in?dipropylene glycol. strong green fruit
[biological source]

synthetic
[Water Solubility ]

Soluble in water
[Sensitive ]

Air Sensitive
[JECFA Number]

1201
[BRN ]

1698207
[Stability:]

Air sensitive, Light Sensitive
[Major Application]

flavors and fragrances
[InChI]

1S/C5H8O/c1-3-5(2)4-6/h3-4H,1-2H3/b5-3+
[InChIKey]

ACWQBUSCFPJUPN-HWKANZROSA-N
[SMILES]

C\C=C(/C)C=O
[LogP]

1.065 (est)
[CAS DataBase Reference]

497-03-0(CAS DataBase Reference)
[EPA Substance Registry System]

trans-2-Methylcrotonaldehyde (497-03-0)
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)Exclamation Mark (GHS07)
GHS02,GHS07
[Signal word ]

Danger
[Hazard statements ]

H225-H315-H319-H335
[Precautionary statements ]

P210-P233-P240-P241-P303+P361+P353-P305+P351+P338
[Hazard Codes ]

F,Xi
[Risk Statements ]

R11:Highly Flammable.
R36/37/38:Irritating to eyes, respiratory system and skin .
R10:Flammable.
[Safety Statements ]

S16:Keep away from sources of ignition-No smoking .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[RIDADR ]

UN 1989 3/PG 2
[WGK Germany ]

3
[TSCA ]

Yes
[HazardClass ]

3
[PackingGroup ]

II
[HS Code ]

29121990
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Eye Irrit. 2
Flam. Liq. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Description]

2-Methyl-2-butenal has a penetrating, powerful green ethereal odor. May be prepared by condensation of acetaldehyde and propionaldehyde.
[Chemical Properties]

clear colorless to yellow liquid
[Uses]

Tiglic aldehyde was used in the concise total synthesis of 7-demethylpiericidin A1. It was used as starting reagent during the synthesis of:
  • alkyl-branched tetraene hydrocarbons, pheromone component for dried fruit beetle
  • E,E-2,4-dimethyl-2,4-hexa dienal, volatile constituents of the defensive secretions of Leiobunum nigripalpi
  • 4-methyl-2,4-hexadiene-1-ol
[General Description]

trans-2-Methyl-2-butenal is one of the major volatile constituents of coriander and olive oil.
Spectrum DetailBack Directory
[Spectrum Detail]

TRANS-2-METHYL-2-BUTENAL(497-03-0)MS
TRANS-2-METHYL-2-BUTENAL(497-03-0)1HNMR
TRANS-2-METHYL-2-BUTENAL(497-03-0)13CNMR
TRANS-2-METHYL-2-BUTENAL(497-03-0)IR1
TRANS-2-METHYL-2-BUTENAL(497-03-0)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

trans-2-Methyl-2-butenal, 98%(497-03-0)
[Alfa Aesar]

trans-2-Methyl-2-butenal, 97%(497-03-0)
[Sigma Aldrich]

497-03-0(sigmaaldrich)
[TCI AMERICA]

trans-2-Methyl-2-butenal,>95.0%(GC)(497-03-0)
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