Name: 3-(5-METHYL-2-FURYL)BUTYRALDEHYDE
SKU: 31704-80-0

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Basic Information

Molecular Structure:
CAS No.:	31704-80-0
Name:	3-(5-METHYL-2-FURYL)BUTYRALDEHYDE
Article Data:	10

Formula:	C₉H₁₂O₂
Molecular Weight:	152.193
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;
EINECS:	250-771-4
Density:	0.998 g/cm³
Boiling Point:	172.9 °C at 760 mmHg
Flash Point:	66.9 °C
Appearance:	Colourless liquid; Vegetable, fruity aroma
Risk Codes:	10
Safety:	16
Transport Information:	UN 1989 3/PG 3
PSA:	30.21000
LogP:	2.28050

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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