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Conditions | Yield |
---|---|
With oxidase In water at 40℃; Reformatsky Reaction; Enzymatic reaction; | 100% |
With dihydrogen peroxide In water at 65℃; for 4h; Catalytic behavior; Green chemistry; chemoselective reaction; | 97% |
With chromium(VI) oxide; silica gel for 0.05h; microwave irradiation; | 96% |
1,1-diacetoxypentane
pentanal
Conditions | Yield |
---|---|
With poly(4-vinylpyridine)-supported sulfuric acid In acetonitrile at 20℃; for 1.5h; Green chemistry; | 100% |
With ammonium cerium(IV) nitrate In acetonitrile at 70℃; for 4.5h; | 90% |
With N-sulfonic acid poly(4-vinylpyridinium) chloride In methanol at 20℃; for 0.666667h; | 88% |
With sulfonated rice husk ash In acetonitrile at 60℃; for 0.0833333h; | 88% |
Conditions | Yield |
---|---|
With dicarbonylacetylacetonato rhodium (I); C41H30O8P2; hydrogen In toluene at 90℃; under 3750.38 - 7500.75 Torr; for 3h; Reagent/catalyst; regioselective reaction; | 98.2% |
With [bmim][n-C8H17OSO3]; hydrogen; 2,7-bis(SO3Na)-4,5-bis(PPh2)-9,9-Me2-xanthene Rh complex at 120℃; under 7950.8 Torr; for 0.00472222h; Kinetics; Activation energy; Further Variations:; Pressures; Temperatures; syngas composition, educt conc., catalyst conc.; | 97.7% |
With (acetylacetonato)dicarbonylrhodium (l); C43H53O8P; hydrogen In toluene under 37503.8 Torr; for 12h; Catalytic behavior; Reagent/catalyst; regioselective reaction; | 97.4% |
Conditions | Yield |
---|---|
With (acetylacetonato)dicarbonylrhodium (l); 1,2,4,5-tetraisopropylbenzene; C43H53O8P; hydrogen In toluene under 37503.8 Torr; for 12h; Catalytic behavior; Pressure; regioselective reaction; | 96.5% |
With acetylacetonatodicarbonylrhodium(l); 3,3'-di-tert-butyl-5,5'-dimethoxy-[1,1'-biphenyl]-2,2'-diyltetrakis(2,4-dimethylphenyl)bis(phosphite); bis-(2,2,6,6-tetramethyl-4-piperidinyl) sebacate; hydrogen In toluene at 120℃; under 15001.5 Torr; for 12h; Catalytic behavior; Reagent/catalyst; Autoclave; | 95% |
With dicarbonylacetylacetonato rhodium (I); trans-1,12-bis((di(1H-pyrrol-1-yl)phosphino)oxy)-5,5a,6,7,7a,8-hexahydrocyclopenta[1,2-b:1,5-b']dichromene; hydrogen In toluene at 110℃; under 3750.38 - 7500.75 Torr; for 15h; Glovebox; Autoclave; regioselective reaction; |
1-pentyl(trimethylsilyl)ether
pentanal
Conditions | Yield |
---|---|
With 1,4-dichloro-1,4-diazoniabicyclo[2,2,2]octane bis-chloride In water at 50℃; for 0.333333h; pH=7; | 95% |
With (H2DABCO)2(HDABCO)2(Br)2(Br3)4 In water at 80℃; for 0.333333h; | 95% |
With ammonium cerium(IV) nitrate; HZSM-5 zeolite In water for 0.0833333h; microwave irradiation; | 92% |
Conditions | Yield |
---|---|
[CpRu(η2-P,N-L)(CH3CN)]PF6 In [(2)H6]acetone; [(Me3Si)4C] at 70℃; for 5h; Product distribution / selectivity; | 95% |
C21H29N3PRu(1+)*F6P(1-) In dichloromethane; [(Me3Si)4C] at 20℃; for 24 - 48h; Product distribution / selectivity; | 95% |
{CpRu[P(i-Pr)2(1-Me-4-tBu-imidazol-2-yl)]MeCN}*PF6 In acetone at 70℃; for 1h; | 95 % Spectr. |
[CpRu(PN)(MeCN)]PF6 In [(2)H6]acetone at 70℃; for 1 - 5h; Product distribution / selectivity; | > 95 %Spectr. |
{bis(triphenylphosphine)nitrogen}{HW(CO)5}
n-valeryl chloride
A
pentanal
B
bis(triphenylphosphoranylidene)ammonium chloropentacarbonyltungstate
Conditions | Yield |
---|---|
In tetrahydrofuran 1:1 molar ratio, THF, 25.degree,C;; detected by NMR, Ir spectra and GC analysis;; | A 95% B n/a |
{PPN}{HCr(CO)5}
n-valeryl chloride
A
pentanal
B
bis(triphenylphosphine)nitrogen{Cr(CO)5Cl}
Conditions | Yield |
---|---|
In tetrahydrofuran 1:1 molar ratio, THF, 25°C;; detected by NMR and IR spectra; and GC analysis,; | A 95% B n/a |
Conditions | Yield |
---|---|
With dimethyl sulfoxide for 0.0361111h; Kornblum oxidation; Microwave irradiation; | 95% |
Conditions | Yield |
---|---|
With N-iodo-succinimide In chlorobenzene for 2h; Irradiation; | A 94% B 1% C n/a |
With N-iodo-succinimide In chlorobenzene for 2h; Product distribution; Irradiation; var. irradiat. times, temps. and light cond.; | A 94% B 1% C n/a |
The Pentanal, with the CAS registry number 110-62-3 and EINECS registry number 200-710-2, is also called pentanaldehyde or valeraldehyde. And the molecular formula of this chemical is C5H10O. It is a kind of colourless liquid, and slightly soluble in water, and may be sensitive to prolonged exposure to air. What's more, it should be stored at 0-6°C.
The physical properties of Pentanal are as following: (1)ACD/LogP: 1.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.44; (4)ACD/LogD (pH 7.4): 1.44; (5)ACD/BCF (pH 5.5): 7.29; (6)ACD/BCF (pH 7.4): 7.29; (7)ACD/KOC (pH 5.5): 144.22; (8)ACD/KOC (pH 7.4): 144.22; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.384; (14)Molar Refractivity: 25.4 cm3; (15)Molar Volume: 108.3 cm3; (16)Polarizability: 10.06×10-24cm3; (17)Surface Tension: 24 dyne/cm; (18)Density: 0.794 g/cm3; (19)Flash Point: 12.2 °C; (20)Enthalpy of Vaporization: 34.28 kJ/mol; (21)Boiling Point: 103.7 °C at 760 mmHg; (22)Vapour Pressure: 31.8 mmHg at 25°C.
Uses and preparation of Pentanal: It is used in flavorings, resin chemistry, and rubber accelerators. It is also used to prepare pentanol and oxidation of pentanol. What's more, it can be prepared by 1-butylene and syngas(CO/H2) at 19.6-29.7 MPa, 150-170 ° C.
CH2=CHCH2CH3+CO+H2→CH3CH2CH2CH2CHO
You should be cautious while dealing with this chemical. It is a kind of flammable chemical, and it irritates eyes, respiratory system and skin. It also has risk of serious damage to eyes. Therefore, you had better take the following instructions: Wear suitable gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; Keep away from sources of ignition - No smoking; Take precautionary measures against static discharges.
You can still convert the following datas into molecular structure:
(1)SMILES: O=CCCCC
(2)InChI: InChI=1/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3
(3)InChIKey: HGBOYTHUEUWSSQ-UHFFFAOYAJ
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
guinea pig | LD50 | skin | 20gm/kg (20000mg/kg) | Food and Cosmetics Toxicology. Vol. 17, Pg. 919, 1979. | |
mouse | LD50 | intraperitoneal | 200mg/kg (200mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: MUSCLE WEAKNESS BEHAVIORAL: ATAXIA | National Technical Information Service. Vol. OTS0533619, |
mouse | LD50 | oral | 6400mg/kg (6400mg/kg) | Food and Cosmetics Toxicology. Vol. 17, Pg. 919, 1979. | |
mouse | LDLo | subcutaneous | 2gm/kg (2000mg/kg) | Annales Pharmaceutiques Francaises. Vol. 14, Pg. 710, 1956. | |
rabbit | LD50 | skin | 5mL/kg (5mL/kg) | SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE" | National Technical Information Service. Vol. OTS0535072, |
rat | LCLo | inhalation | 4000ppm/4H (4000ppm) | American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969. | |
rat | LD50 | intraperitoneal | 400mg/kg (400mg/kg) | BEHAVIORAL: MUSCLE WEAKNESS BEHAVIORAL: ATAXIA | National Technical Information Service. Vol. OTS0533619, |
rat | LD50 | oral | 5660uL/kg (5.66mL/kg) | American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969. |