- Propanoic acid, 1-methylpropyl ester
- Propanoic acid, 2-(2,4-dichlorophenoxy)-, magnesium salt (2:1)
- Propanoic acid, 2-(2,4-dichlorophenoxy)-, mixt. with (2,4-dichlorophenoxy)acetic acid, (2,4,5-trichlorophenoxy)acetic acid and 2-(2,4,5-trichlorophenoxy)propanoic acid
- Propanoic acid, 2-[4-(trifluoromethoxy)phenoxy]-
- Propanoic acid, 2-bromo-, ethyl ester, (2S)-
- Propanoic acid, 2-chloro-3-methoxy-
- Propanoic acid, 2-hydroxy-, decylester
- Propanoic acid, 2-hydroxy-3-(phenylmethoxy)-, methyl ester, (2R)-
- Propanoic acid, 2-iodo-2-methyl-, methyl ester
- Propanoic acid, 2-methoxy-, ethyl ester, (2R)-
- 111-52-42-Butene-1,4-diamine,N1,N1,N4,N4-tetramethyl-, (2E)-
- 111524-95-9Benzeneacetic acid, a-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-,(aR)-
- 111525-02-12-Naphthalenemethanamine,N-hydroxy-a-methyl-
- 111-53-52-Butyne-1,4-diamine,N1,N1,N4,N4-tetramethyl-
- 111537-41-84H-1-Benzopyran-4-one,5-hydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-6,7-dimethoxy-
- 111542-93-93-Quinolinecarboxylicacid,5-amino-1-cyclopropyl-7-(3,5-dimethyl-1-piperazinyl)-6,8-difluoro-1,4-dihydro-4-oxo-
- 111544-93-5Propanedioic acid,2-(2,4-dichlorophenyl)-, 1,3-diethyl ester
- 1115-47-5Methionine,N-acetyl-
- 111547-87-62-ETHYLIMIDAZOLINE
- 111549-97-4D-Ribitol,2,3,4-tris-O-(phenylmethyl)-5-O-2-propen-1-yl-
Hot Products
- 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
- 7631-86-9Silicon dioxide
- 302-79-4Tretinoin
- 77-92-9Citric acid
|
Basic Information |
|
Post buying leads |
|
Suppliers |
|
Cas Database |
| Name |
Propanoic acid,3-hydroxy-2,2-dimethyl-, 3-hydroxy-2,2-dimethylpropyl ester |
EINECS | 214-222-2 |
| CAS No. | 1115-20-4 | Density | 1.062 g/cm3 |
| PSA | 66.76000 | LogP | 0.56660 |
| Solubility | 239g/L at 25℃ | Melting Point |
46-50 ºC |
| Formula | C10H20O4 | Boiling Point | 289.8 ºC at 760 mmHg |
| Molecular Weight | 204.266 | Flash Point | 103.2 ºC |
| Transport Information | N/A | Appearance | off-white crystals |
| Safety | 26-36 | Risk Codes | 36 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
Hydracrylicacid, 2,2-dimethyl-, 3-hydroxy-2,2-dimethylpropyl ester (6CI,7CI,8CI);1,3-Propanediol,2,2-dimethyl-, mono(2,2-dimethylhydracrylate) (8CI);2,2-Dimethyl-1,3-propanediol mono(hydroxypivalate);2,2-Dimethyl-3-hydroxypropyl 2,2-dimethyl-3-hydroxypropionate;2,2-Dimethyl-3-hydroxypropyl a,a-dimethyl-b-hydroxypropionate;3-(Hydroxypivaloyloxy)-2,2-dimethylpropanol;3-Hydroxy-2,2-dimethylpropyl 2,2-dimethylhydracrylate;3-Hydroxy-2,2-dimethylpropyl 3-hydroxy-2,2-dimethylpropionate;3-Hydroxy-2,2-dimethylpropyl hydroxypivalate;Ester Diol 204;Hydroxyneopentylhydroxypivalate;Hydroxypivalic acid neopentyl glycol ester;Hydroxypivalylhydroxypivalate;Neopentyl glycol hydroxypivalate monoester;Neopentyl glycolmonohydroxypivalate; |
Article Data | 18 |
Propanoic acid,3-hydroxy-2,2-dimethyl-, 3-hydroxy-2,2-dimethylpropyl ester Synthetic route
- 50-00-0
formaldehyd
- 78-84-2
isobutyraldehyde
A
- 1115-20-4
2,2-dimethyl-3-hydroxy-propyl 2,2-dimethyl-3-hydroxypropionate
B
- 126-30-7
2,2-Dimethyl-1,3-propanediol
| Conditions | Yield |
|---|---|
| With sodium hydroxide In water at 30 - 60℃; for 6h; pH=10.5; Reagent/catalyst; Temperature; pH-value; Tishchenko-Claisen Dismutation; | A 80% B 20% |
- 78-84-2
isobutyraldehyde
A
- 597-31-9
2,2-dimethyl-3-hydroxypropionaldehyde
B
- 1115-20-4
2,2-dimethyl-3-hydroxy-propyl 2,2-dimethyl-3-hydroxypropionate
C
- 5919-84-6
2,2-dimethyl-3-hydroxypropyl 2-methylpropionate
D
- 126-30-7
2,2-Dimethyl-1,3-propanediol
| Conditions | Yield |
|---|---|
| With triethylamine at 65 - 90℃; for 0.666667h; Nitrogen atmosphere; | A 62.4% B 2% C 0.26% D 0.64% |
- 10467-10-4
ethylmagnesium iodide
- 597-31-9
2,2-dimethyl-3-hydroxypropionaldehyde
- 1115-20-4
2,2-dimethyl-3-hydroxy-propyl 2,2-dimethyl-3-hydroxypropionate
| Conditions | Yield |
|---|---|
| With diethyl ether |
- 50-00-0
formaldehyd
- 78-84-2
isobutyraldehyde
- 1115-20-4
2,2-dimethyl-3-hydroxy-propyl 2,2-dimethyl-3-hydroxypropionate
| Conditions | Yield |
|---|---|
| (i) Et3N, (ii) Ca(OH)2; Multistep reaction; |
- 46329-82-2, 67081-75-8, 67081-77-0, 87194-52-3
5,5-dimethyl-2-(1',1'-dimethyl-2'-hydroxyethyl)-4-hydroxy-1,3-dioxane
- 1115-20-4
2,2-dimethyl-3-hydroxy-propyl 2,2-dimethyl-3-hydroxypropionate
| Conditions | Yield |
|---|---|
| barium dihydroxide In various solvent(s) at 32℃; for 0.666667h; Product distribution; Further Variations:; Catalysts; Solvents; Temperatures; |
- 46329-82-2, 67081-75-8, 67081-77-0, 87194-52-3
5,5-dimethyl-2-(1',1'-dimethyl-2'-hydroxyethyl)-4-hydroxy-1,3-dioxane
A
- 1115-20-4
2,2-dimethyl-3-hydroxy-propyl 2,2-dimethyl-3-hydroxypropionate
| Conditions | Yield |
|---|---|
| With monolithio-2,2-dimethyl-1,3-propanediol In tetrahydrofuran at 20℃; |
- 50-00-0
formaldehyd
- 78-84-2
isobutyraldehyde
A
- 597-31-9
2,2-dimethyl-3-hydroxypropionaldehyde
B
- 1115-20-4
2,2-dimethyl-3-hydroxy-propyl 2,2-dimethyl-3-hydroxypropionate
C
- 5919-84-6
2,2-dimethyl-3-hydroxypropyl 2-methylpropionate
D
- 126-30-7
2,2-Dimethyl-1,3-propanediol
| Conditions | Yield |
|---|---|
| triethylamine at 40 - 90℃; for 0.666667h; Aldol Condensation; |
- 50-00-0
formaldehyd
- 78-84-2
isobutyraldehyde
A
- 64-18-6
formic acid
B
- 597-31-9
2,2-dimethyl-3-hydroxypropionaldehyde
C
- 1115-20-4
2,2-dimethyl-3-hydroxy-propyl 2,2-dimethyl-3-hydroxypropionate
D
- 126-30-7
2,2-Dimethyl-1,3-propanediol
| Conditions | Yield |
|---|---|
| triethylamine In water Product distribution / selectivity; Aldol Condensation; |
- 50-00-0
formaldehyd
- 78-84-2
isobutyraldehyde
A
- 597-31-9
2,2-dimethyl-3-hydroxypropionaldehyde
B
- 1115-20-4
2,2-dimethyl-3-hydroxy-propyl 2,2-dimethyl-3-hydroxypropionate
C
- 126-30-7
2,2-Dimethyl-1,3-propanediol
| Conditions | Yield |
|---|---|
| With triethylamine In water at 40 - 90℃; for 0.666667h; | |
| With triethylamine In water at 40 - 90℃; for 0.666667h; |
- 597-31-9
2,2-dimethyl-3-hydroxypropionaldehyde
- 1115-20-4
2,2-dimethyl-3-hydroxy-propyl 2,2-dimethyl-3-hydroxypropionate
| Conditions | Yield |
|---|---|
| at 40 - 85℃; |
Propanoic acid,3-hydroxy-2,2-dimethyl-, 3-hydroxy-2,2-dimethylpropyl ester Specification
The Propanoic acid,3-hydroxy-2,2-dimethyl-, 3-hydroxy-2,2-dimethylpropyl ester, with its CAS registry number 1115-20-4, has the IUPAC name of (3-hydroxy-2,2-dimethylpropyl) 3-hydroxy-2,2-dimethylpropanoate. And this chemical is hygroscopic.
The physical properties of this chemical are as below: (1)ACD/LogP: 0.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.09; (4)ACD/LogD (pH 7.4): 0.09; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 26.51; (8)ACD/KOC (pH 7.4): 26.51; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 44.76; (13)Index of Refraction: 1.465; (14)Molar Refractivity: 53.15 cm3; (15)Molar Volume: 192.1 cm3; (16)Polarizability: 21.07×10-24 cm3; (17)Surface Tension: 38.3 dyne/cm; (18)Density: 1.062 g/cm3; (19)Flash Point: 103.2 °C; (20)Enthalpy of Vaporization: 61.39 kJ/mol; (21)Boiling Point: 289.8 °C at 760 mmHg; (22)Vapour Pressure: 0.000236 mmHg at 25°C; (23)Exact Mass: 204.136159; (24)MonoIsotopic Mass: 204.136159; (25)Topological Polar Surface Area: 66.8; (26)Heavy Atom Count: 14; (27)Complexity: 196.
When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes and may cause inflammation to the skin or other mucous membranes. Therefore, you should wear suitable protective clothing and if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: CC(C)(CO)COC(=O)C(C)(C)CO
(2)InChI: InChI=1S/C10H20O4/c1-9(2,5-11)7-14-8(13)10(3,4)6-12/h11-12H,5-7H2,1-4H3
(3)InChIKey: SZCWBURCISJFEZ-UHFFFAOYSA-N
What can I do for you?
Get Best Price
