| Identification | More | [Name]
Allylacetic acid | [CAS]
591-80-0 | [Synonyms]
3-VINYLPROPIONIC ACID
4-PENTENOIC ACID
4-PENTYNOIC ACID
ALLYLACETIC ACID
FEMA 2843
FEMA NUMBER 2843
PENT-4-ENOIC ACID
PROPARGYLACETIC ACID
RARECHEM AL BO 0762
TIMTEC-BB SBB009121
4 PA
4-Pentensαure
Butencarbonsαure
delta4-Pentenoic acid
delta4-pentenoicacid
4-PENTENOIC ACID 98+%
4-Pentenoic Aicd
PENT-4-ENOATE
Anulacetic acid
AUYLACETICACID | [EINECS(EC#)]
228-028-0 | [Molecular Formula]
C5H8O2 | [MDL Number]
MFCD00004407 | [Molecular Weight]
100.12 | [MOL File]
591-80-0.mol |
| Chemical Properties | Back Directory | [Appearance]
clear colorless to light yellow liquid | [Melting point ]
-22.5 °C (lit.) | [Boiling point ]
83-84 °C/12 mmHg (lit.) | [density ]
0.981 g/mL at 25 °C(lit.)
| [vapor density ]
>1 (vs air)
| [FEMA ]
2843 | [refractive index ]
n20/D 1.428(lit.)
| [Fp ]
193 °F
| [storage temp. ]
2-8°C
| [solubility ]
soluble in Chloroform, Methanol | [form ]
Liquid | [pka]
pK1:4.677 (25°C) | [color ]
Clear colorless to light yellow | [Specific Gravity]
0.981 | [Odor]
at 0.10 % in propylene glycol. cheese parmesan romano ricotta | [explosive limit]
1.58%(V) | [Odor Type]
cheesy | [Water Solubility ]
Soluble in alcohol, Slightly soluble in water | [JECFA Number]
314 | [BRN ]
1633696 | [InChIKey]
HVAMZGADVCBITI-UHFFFAOYSA-N | [LogP]
0.99 | [CAS DataBase Reference]
591-80-0(CAS DataBase Reference) | [NIST Chemistry Reference]
4-Pentenoic acid(591-80-0) | [EPA Substance Registry System]
591-80-0(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
C,T | [Risk Statements ]
R34:Causes burns.
R22:Harmful if swallowed. | [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 3261 8/PG 2
| [WGK Germany ]
3
| [RTECS ]
SC4751000
| [F ]
8-10-23 | [TSCA ]
T | [HazardClass ]
8 | [PackingGroup ]
III | [HS Code ]
29161980 | [Toxicity]
LD50 oral in rat: 470mg/kg |
| Questions And Answer | Back Directory | [Description]
Allylacetic acid (allyl acetate) is a derivative of acetate. It is
the acetate ester of allyl alcohol. It is useful industrial
intermediate. It is the precursor of some special polymer such as
drying oils. It can also be used as a useful allylating reagent for
catalyzing the allylation of aldehydes, and also allylation of aryl
bromides in the palladium-catalyzed cross-coupling reaction. It has
also demonstrated that it is a potential fumigant against grain
beetle pests; study has shown that doses of 50–150 mg litre?1 with
24–120-h exposures are necessary to achieve 100% mortality of all
life stages against grain beetle pests. Study has also shown that
ally acetate is an effective oxidants during the Palladium—
Iminophosphine-Catalyzed Homocoupling of Alkynylstannanes and Other
Organostannanes | [References]
Denmark, S. E., and S. T. Nguyen. "Catalytic, nucleophilic allylation of aldehydes with allyl acetate. " Organic Letters 11.3 (2009):781-4.
Yokoyama, Y., et al. "ChemInform Abstract: Palladium- Catalyzed Cross-Coupling Reaction: Direct Allylation of Aryl Bromides with Allyl Acetate."Chemischer Informationsdienst 26.52 (1986):6457-6460.
Rajendran, Dr Somiahnadar, and N. Muralidharan. "Effectiveness of allyl acetate as a fumigant against five stored grain beetle pests." Pest Management Science 61.1(2005):97-101.
Shirakawa, Eiji, et al. "Palladium—Iminophosphine-Catalyzed Homocoupling of Alkynylstannanes and Other Organostannanes Using Allyl Acetate or Air as an Oxidant." Journal of Organometallic Chemistry670.1(2003):132-136.
|
| Hazard Information | Back Directory | [Chemical Properties]
4-Pentenoic acid has a sour, caramellic flavor with sweet aftertaste. It has an acrid flavor and odor at high levels. | [Chemical Properties]
clear colorless to light yellow liquid | [Uses]
Sulfonation yields the corresponding γ-lactone.1 | [Definition]
ChEBI: A pentenoic acid having the double bond at position 4. | [Preparation]
By decarboxylation via heating allylmalonic acid; from the corresponding ethyl ester prepared by boiling ethyl 4-chloron-
valerate in quinoline. | [Synthesis Reference(s)]
Synthetic Communications, 13, p. 889, 1983 DOI: 10.1080/00397918308059542 | [General Description]
4-Pentenoic acid is a volatile acid reported to be found in tobacco. | [Safety Profile]
Poison by subcutaneous and intraperitoneal routes. Moderately toxic by ingestion. When heated to decomposition it emits acrid smoke and irritating fumes. |
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