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2-Furanpropanal, b,5-dimethyl-

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Name

2-Furanpropanal, b,5-dimethyl-

EINECS 250-771-4
CAS No. 31704-80-0 Density 0.998 g/cm3
PSA 30.21000 LogP 2.28050
Solubility N/A Melting Point N/A
Formula C9H12O2 Boiling Point 172.9 °C at 760 mmHg
Molecular Weight 152.193 Flash Point 66.9 °C
Transport Information UN 1989 3/PG 3 Appearance Colourless liquid; Vegetable, fruity aroma
Safety 16 Risk Codes 10
Molecular Structure Molecular Structure of 31704-80-0 (3-(5-METHYL-2-FURYL)BUTYRALDEHYDE) Hazard Symbols N/A
Synonyms

2-Furanpropionaldehyde,b,5-dimethyl- (7CI,8CI);3-(5-Methyl-2-furyl) butanal;3-(5-Methyl-2-furyl)butyraldehyde;3-(5-Methylfuran-2-yl)butyraldehyde;3-(5-Methylfuryl)butanal;b,5-Dimethyl-2-furanpropanal;

Article Data 10

2-Furanpropanal, b,5-dimethyl- Specification

The CAS register number of 2-Furanpropanal, b,5-dimethyl- is 31704-80-0. It also can be called as 3-(5-Methyl-2-furyl) butanal and the IUPAC name about this chemical is 2-(5-methylfuran-2-yl)butanal. The molecular formula about this chemical is C9H12O2 and the molecular weight is 152.19. It belongs to the following product categories which include Alphabetical Listings; Flavors and Fragrances; M-N and so on.

Physical properties about 2-Furanpropanal, b,5-dimethyl- are: (1)ACD/LogP: 2.01; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 19.66; (5)ACD/BCF (pH 7.4): 19.66; (6)ACD/KOC (pH 5.5): 293.42; (7)ACD/KOC (pH 7.4): 293.42; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 30.21 Å2; (11)Index of Refraction: 1.468; (12)Molar Refractivity: 42.38 cm3; (13)Molar Volume: 152.4 cm3; (14)Polarizability: 16.8x10-24cm3; (15)Surface Tension: 32 dyne/cm; (16)Density: 0.998 g/cm3; (17)Flash Point: 66.9 °C; (18)Enthalpy of Vaporization: 40.93 kJ/mol; (19)Boiling Point: 172.9 °C at 760 mmHg; (20)Vapour Pressure: 1.3 mmHg at 25 °C.

Preparation: this chemical can be prepared by 2-methyl-furan and but-2-enal. This reaction will need reagent of toluene-4-sulfinic acid methyl ester.

2-Furanpropanal, b,5-dimethyl- can be prepared by 2-methyl-furan and but-2-enal.

Uses of 2-Furanpropanal, b,5-dimethyl-: it can be used to produce 3-(5-methyl-furan-2-yl)-butan-1-ol. This reaction will need reagent of NaBH4 and solvent of ethanol.

2-Furanpropanal, b,5-dimethyl- can be used to produce 3-(5-methyl-furan-2-yl)-butan-1-ol.

When you are using this chemical, please be cautious about it as the following:
This chemical is flammable. If you want to use it, keep it away from sources of ignition. If you want to store it, you should keep the container tightly sealed in dry, cool places and avoid contact with oxide. If you store and use this chemical according the rule, it will not be decomposed. Please ensure that the workshop is well ventilated or equipped with exhaust device. It is slightly hazardous to water. If no official permission, do not put materials into the permission surroundings.

You can still convert the following datas into molecular structure:
(1)SMILES: O=CCC(c1oc(cc1)C)C
(2)InChI: InChI=1/C9H12O2/c1-7(5-6-10)9-4-3-8(2)11-9/h3-4,6-7H,5H2,1-2H3
(3)InChIKey: DFSVNSCDOZSUCT-UHFFFAOYAM

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