Products Categories
| CAS No.: | 24851-98-7 |
|---|---|
| Name: | Methyl dihydrojasmonate |
| Article Data: | 36 |
| Molecular Structure: | |
|
|
|
| Formula: | C13H22O3 |
| Molecular Weight: | 226.316 |
| Synonyms: | Cyclopentaneaceticacid, 3-oxo-2-pentyl-, methyl ester;Kharismal;Methyl (2-pentyl-3-oxocyclopentyl)acetate;Methyl(3-oxo-2-pentylcyclopentyl)acetate;methyl dihydrojasmonate (MDJ);Hedione; |
| EINECS: | 246-495-9 |
| Density: | 0.984 g/cm3 |
| Boiling Point: | 307.8 °C at 760 mmHg |
| Flash Point: | 130.8 °C |
| Solubility: | insoluble in water |
| Appearance: | Colorless clear liquid |
| Safety: | 23-24/25 |
| PSA: | 43.37000 |
| LogP: | 2.72510 |
- 483366-12-7(2S,4R)-1-Boc-2-cyano-4-hydroxypyrrolidine
- 361456-36-2METHYL (R)-(+)-ISOCYANATO-3-PHENYLPROPI&
- 5156-58-1N-(1-Benzyl-4-pipperidinyl)-N-phenylpropanamide HCl
- 81281-59-67-Benzylideneaminotheophylline
- 50288-62-5threo-Phenyl-2-piperidyl acetamide
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 47087-37-6Z-D-Glu-OMe
- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 68439-39-4Poly(oxy-1,2-ethanediyl), alpha-(2-ethylhexyl)-omega-hydroxy-,
- 852475-26-4MC1568
- 24863-70-5
(3-oxo-2-pentyl-cyclopent-1-enyl)-acetic acid methyl ester
- 24851-98-7
methyl 3-oxo-2-pentylcyclopentaneacetate
| Conditions | Yield |
|---|---|
| With hydrogen; palladium on activated charcoal In cyclohexane at 20℃; under 760 Torr; for 1.5h; | 100% |
- 51806-23-6
methyl 1-carboxymethyl-1-(2-pentyl-3-oxocyclopentyl)acetate
- 24851-98-7
methyl 3-oxo-2-pentylcyclopentaneacetate
| Conditions | Yield |
|---|---|
| With water at 190℃; for 3h; Inert atmosphere; | 97.82% |
| With methanol; water at 180℃; for 4h; Inert atmosphere; | 85% |
| With water at 215℃; for 4h; |
- 51806-23-6
methyl 1-carboxymethyl-1-(2-pentyl-3-oxocyclopentyl)acetate
A
- 67-56-1
methanol
B
- 24851-98-7
methyl 3-oxo-2-pentylcyclopentaneacetate
| Conditions | Yield |
|---|---|
| With water at 180 - 215℃; for 3.75 - 15h; Product distribution / selectivity; | A n/a B 93.5% |
- 51806-23-6
methyl 1-carboxymethyl-1-(2-pentyl-3-oxocyclopentyl)acetate
A
- 24851-98-7
methyl 3-oxo-2-pentylcyclopentaneacetate
B
- 3572-64-3
2-(3-oxo-2-pentylcyclopentyl)acetic acid
| Conditions | Yield |
|---|---|
| With water at 180 - 215℃; for 4 - 16h; Product distribution / selectivity; | A 90.7% B n/a |
- 1101843-02-0
methyl jasmonate
- 24851-98-7
methyl 3-oxo-2-pentylcyclopentaneacetate
| Conditions | Yield |
|---|---|
| With hydrogen; [(C6Me6)2Ru2(PPh2)H2][BF4] In ethanol at 60℃; under 37503 Torr; for 24h; | 90% |
| With 10% Pd/C; hydrogen |
- 25564-22-1
2-pentyl-2-cyclopenten-1-one
- 108-59-8
malonic acid dimethyl ester
- 24851-98-7
methyl 3-oxo-2-pentylcyclopentaneacetate
| Conditions | Yield |
|---|---|
| Stage #1: 2-pentyl-2-cyclopenten-1-one; malonic acid dimethyl ester With sodium methylate In methanol at 0℃; for 5h; Michael addition; Stage #2: In water at 215℃; for 4h; | 28% |
| Stage #1: 2-pentyl-2-cyclopenten-1-one; malonic acid dimethyl ester With sodium methylate In methanol at 0℃; for 5h; Michael Condensation; Stage #2: at 215℃; for 4h; |
- 186581-53-3, 908094-01-9
diazomethane
- 3572-64-3
2-(3-oxo-2-pentylcyclopentyl)acetic acid
- 24851-98-7
methyl 3-oxo-2-pentylcyclopentaneacetate
| Conditions | Yield |
|---|---|
| Yield given; |
- 694528-26-2
2-(1-hydroxypentyl)cyclopent-2-en-1-one
- 1445-45-0
Trimethyl orthoacetate
- 24851-98-7
methyl 3-oxo-2-pentylcyclopentaneacetate
| Conditions | Yield |
|---|---|
| Stage #1: 2-(1-hydroxypentyl)cyclopent-2-en-1-one; Trimethyl orthoacetate With Trimethylacetic acid at 110℃; for 3h; Claisen rearrangement; Stage #2: With hydrogen; palladium on activated charcoal In cyclohexane at 0℃; under 760 Torr; for 18h; |
- 110-53-2
1-Bromopentane
- 24851-98-7
methyl 3-oxo-2-pentylcyclopentaneacetate
| Conditions | Yield |
|---|---|
| Multi-step reaction with 6 steps 1: 83 percent 2: 87 percent / PPh3 / Pd(OAc)2 / various solvent(s) / 3 h / Heating 3: 88 percent / NaI / hexamethylphosphoric acid triamide / 100 °C 4: 9-BBN 5: CrO3 View Scheme | |
| Multi-step reaction with 4 steps 1: ammonia; sodium / -40 - 20 °C 2: di(rhodium)tetracarbonyl dichloride; 4-methylmorpholine N-oxide / 30 h / 80 °C / 3750.38 - 37503.8 Torr / Glovebox; Autoclave 3: sodium methylate / methanol / 2 h / -5 °C / Inert atmosphere 4: water; methanol / 4 h / 180 °C / Inert atmosphere View Scheme |
- 24851-98-7
methyl 3-oxo-2-pentylcyclopentaneacetate
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: CrO3 View Scheme |
- 394-31-05-Hydroxyanthranilic acid
- 177834-92-3Eletriptan hydrobromide
- 122-19-0Benzenemethanaminium,N,N-dimethyl-N-octadecyl-, chloride (1:1)
- 3759-92-0Furaltadone hydrochloride
- 1929-82-4Pyridine,2-chloro-6-(trichloromethyl)-
- 521-17-5Androst-5-ene-3,17-diol,(3b,17b)-
- 1461-22-9Stannane,tributylchloro-
- 540-51-2Ethanol, 2-bromo-
- 104987-11-3Tacrolimus
- 141-53-7Sodium formate
- 8001-54-5Quaternary ammonium compounds, alkylbenzyldimethyl, chlorides
- 9003-39-8Povidone
- 10161-34-9Trenbolone acetate
- 402957-28-2Telaprevir
- 68-19-9Cyanocobalamin
What can I do for you?
Get Best Price
Chemistry
Molecule structure of Hedione (CAS NO.24851-98-7):
IUPAC Name: Methyl 2-(3-oxo-2-pentylcyclopentyl)acetate
Molecular Weight: 226.31198 g/mol
Molecular Formula: C13H22O3
Density: 0.984 g/cm3
Boiling Point: 307.8 °C at 760 mmHg
Flash Point: 130.8 °C
Index of Refraction: 1.453
Molar Refractivity: 62.14 cm3
Molar Volume: 229.8 cm3
Surface Tension: 32.2 dyne/cm
Enthalpy of Vaporization: 54.84 kJ/mol
Vapour Pressure: 0.00071 mmHg at 25 °C
Water solubility: insoluble
XLogP3-AA: 2.7
H-Bond Acceptor: 3
Rotatable Bond Count: 7
Tautomer Count: 3
Exact Mass: 226.156895
MonoIsotopic Mass: 226.156895
Topological Polar Surface Area: 43.4
Heavy Atom Count: 16
Canonical SMILES: CCCCCC1C(CCC1=O)CC(=O)OC
InChI: InChI=1S/C13H22O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h10-11H,3-9H2,1-2H3
InChIKey: KVWWIYGFBYDJQC-UHFFFAOYSA-N
EINECS: 246-495-9
Product Categories: Alphabetical Listings;Flavors and Fragrances;M-N
Uses
Hedione is commonly used as synthesis spice, and it is commonly used in the preparation of jasmine, lily of the valley, and east type essence. It can be both applicated in cosmetics and food.
Toxicity Data With Reference
| 1. | orl-rat LD50:>5 g/kg | FCTOD7 Food and Chemical Toxicology. 30 (1992),85S. | ||
| 2. | skn-rbt LDLo:5 g/kg | FCTOD7 Food and Chemical Toxicology. 30 (1992),85S. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Safety Statements: 23-24/25
S23:Do not breathe vapour.
S24/25:Avoid contact with skin and eyes.
WGK Germany: 2
RTECS: GY2453800
Low toxicity by ingestion and skin contact. When heated to decomposition it emits acrid smoke and irritating vapors.
Specification
Hedione (CAS NO.24851-98-7) is also named as Cyclopentaneacetic acid, 3-oxo-2-pentyl-, methyl ester ; FEMA No. 3408 ; Kharismal ; Methyl (2-pentyl-3-oxocyclopentyl)acetate ; Methyl (3-oxo-2-pentylcyclopentyl)acetate ; Methyl 3-oxo-2-pentyl-cyclopentaneacetate ; Methyl 3-oxo-2-pentylcyclopentaneacetate ; Methyl dihydrojasmonate . Hedione (CAS NO.24851-98-7) is pale straw yellow to yellow transparent oily liquid. It is an ester and a diffusive aroma compound, with the smell vaguely similar to jasmine.