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| CAS No.: | 2478-10-6 |
|---|---|
| Name: | 4-Hydroxybutyl acrylate |
| Article Data: | 21 |
| Molecular Structure: | |
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|
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| Formula: | C7H12O3 |
| Molecular Weight: | 144.17 |
| Synonyms: | Acrylicacid, 4-hydroxybutyl ester (6CI,7CI,8CI);1,4-Butanediol, monoacrylate (8CI);1,4-Butanediol acrylate;4-Hydroxybutyl acrylate;4HBA;Butanediolmonoacrylate;Hydroxybutyl acrylate;Tetramethylene glycol monoacrylate;2-propenoic acid, 4-hydroxybutyl ester;4-Hydroxybutyl 2-propenoate;4-Hydroxybutyl acrylate; |
| EINECS: | 219-606-3 |
| Density: | 1.028 g/cm3 |
| Melting Point: | -112°C |
| Boiling Point: | 298.1 °C at 760 mmHg |
| Flash Point: | 86.6 °C |
| Solubility: | soluble in water |
| Appearance: | clear liquid |
| Hazard Symbols: |
 Xi； N
|
| Risk Codes: | 36/37/38-51/53 |
| Safety: | 26-29-36/37/39-61 |
| PSA: | 46.53000 |
| LogP: | 0.48810 |
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- 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
| Conditions | Yield |
|---|---|
| With 10H-phenothiazine; dioctyltin(IV) oxide In cyclohexane at 85℃; for 10h; Concentration; Reagent/catalyst; | 98.3% |
- 2478-10-6
4-hydroxybutyl acrylate
| Conditions | Yield |
|---|---|
| With toluene-4-sulfonic acid at 40℃; under 225.023 Torr; for 1h; | 91% |
| Conditions | Yield |
|---|---|
| With toluene-4-sulfonic acid; 4-methoxy-phenol; hydroquinone In cyclohexane at 60 - 120℃; Temperature; | 82.5% |
| toluene-4-sulfonic acid | |
| With 10H-phenothiazine; sulfuric acid In cyclohexane at 85℃; for 12h; | |
| With toluene-4-sulfonic acid; hydroquinone |
- 2478-10-6
4-hydroxybutyl acrylate
| Conditions | Yield |
|---|---|
| With ammonium peroxydisulfate; 9-(2-mesityl)-10-methylacridinium perchlorate In dichloromethane; water at 20 - 30℃; for 3h; Irradiation; Green chemistry; | 45% |
| Conditions | Yield |
|---|---|
| With acetic acid; tetracarbonyl nickel |
| Conditions | Yield |
|---|---|
| With phosphate buffer; carboxylesterase from Brevibacterium linens IFO 12171 In water at 30℃; pH=7.0; Enzyme kinetics; Hydrolysis; Enzymatic reaction; |
| Conditions | Yield |
|---|---|
| Stage #1: acrolein With tert-butylhypochlorite In tetrachloromethane at 30℃; for 3.33333h; Stage #2: Butane-1,4-diol In tetrachloromethane at 25℃; for 1.5h; |
- 110-63-4
Butane-1,4-diol
- 292638-85-8
acrylic acid methyl ester
A
- 2478-10-6
4-hydroxybutyl acrylate
B
- 1070-70-8
1,4-Butanediol diacrylate
| Conditions | Yield |
|---|---|
| With Novozyme 435 In tert-Amyl alcohol at 50℃; for 120h; Inert atmosphere; Molecular sieve; Enzymatic reaction; | |
| With Novozyme 435 In 2-methyl-2-butanol at 50℃; for 24h; Enzymatic reaction; |
| Conditions | Yield |
|---|---|
| With triethylamine In dichloromethane at 20℃; Inert atmosphere; Cooling with ice; | |
| With triethylamine |
- 2478-10-6
4-hydroxybutyl acrylate
- 32315-10-9
bis(trichloromethyl) carbonate
- 185756-32-5
4-(chlorocarbonyloxy)butyl prop-2-enoate
| Conditions | Yield |
|---|---|
| With pyridine; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical In dichloromethane at -5 - 20℃; for 22.5h; Inert atmosphere; | 100% |
| With N,N-diethylaniline In ethyl acetate at 5℃; for 3h; | 273 g |
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Specification
The 4-Hydroxybutyl acrylate, with the CAS registry number 2478-10-6, has the systematic name and IUPAC name of 4-hydroxybutyl prop-2-enoate. It belongs to the following product categories: Acrylate Carbonyl Compounds; Acrylic Monomers; C6 to C7; Esters; Monomers. And the molecular formula of the chemical is C7H12O3. What's more, it should be stored at 0-6°C.
The characteristics of 4-Hydroxybutyl acrylate are as followings: (1)ACD/LogP: 0.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.68; (4)ACD/LogD (pH 7.4): 0.68; (5)ACD/BCF (pH 5.5): 1.95; (6)ACD/BCF (pH 7.4): 1.95; (7)ACD/KOC (pH 5.5): 56.13; (8)ACD/KOC (pH 7.4): 56.13; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.447; (14)Molar Refractivity: 37.51 cm3; (15)Molar Volume: 140.1 cm3; (16)Polarizability: 14.87×10-24cm3; (17)Surface Tension: 35 dyne/cm; (18)Density: 1.028 g/cm3; (19)Flash Point: 86.6 °C; (20)Enthalpy of Vaporization: 62.41 kJ/mol; (21)Boiling Point: 298.1 °C at 760 mmHg; (22)Vapour Pressure: 0.000131 mmHg at 25°C.
Uses of 4-Hydroxybutyl acrylate: It can react with benzaldehyde to produce (4-hydroxybutyl)-2-(a-hydroxybenzyl)acrylate. This reaction will need reagent DABCO. The reaction time is 3 days with ambient temperature, and the yield is about 85%.
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. It is also toxic to aquatic organisms, and may cause long-term adverse effects in the aquatic environment. Therefore, you had better take the following instructions: Do not empty into drains and avoid release to the environment. Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OCCCCO)\C=C
(2)InChI: InChI=1/C7H12O3/c1-2-7(9)10-6-4-3-5-8/h2,8H,1,3-6H2
(3)InChIKey: NDWUBGAGUCISDV-UHFFFAOYAA