- 41969-25-9Thiophene,2-(2-nitro-2-phenylethenyl)-
- 4196-99-0Benzenesulfonic acid,2-[2-(2-hydroxy-1-naphthalenyl)diazenyl]-5-[2-(4-sulfophenyl)diazenyl]-, sodiumsalt (1:2)
- 4197-07-32,7-Naphthalenedisulfonicacid, 4,5-dihydroxy-3-(2-phenyldiazenyl)-, sodium salt (1:2)
- 41970-88-1Rifamycin,3-[[[(6-phenoxyhexyl)oxy]imino]methyl]- (9CI)
- 4197-09-52,7-Naphthalenedisulfonicacid, 3-[2-[4-(acetylamino)phenyl]diazenyl]-4,5-dihydroxy-, sodium salt (1:2)
- 4197-24-4Benzenamine,4-[(4-amino-3-methylphenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl]-2-methyl-,hydrochloride (1:1)
- 4197-25-51H-Pyrimidine, 2,3-dihydro-2,2-dimethyl-6-((4-(phenylazo)-1-naphthalenyl)azo)-
- 41979-39-94-Piperidinone,hydrochloride (1:1)
- 41979-55-9N,N,1-trimethylindole-2-carboxamide
- 4198-33-8Butanedioic acid,chloro-, (2S)- (9CI)
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 |
Neopentylglycol dibenzoate |
EINECS | 224-081-9 |
| CAS No. | 4196-89-8 | Density | 1.133 g/cm3 |
| PSA | 52.60000 | LogP | 3.72660 |
| Solubility | 1.16mg/L at 20℃ | Melting Point |
45-51 °C (lit.) |
| Formula | C19H20O4 | Boiling Point | 436.2 °C at 760 mmHg |
| Molecular Weight | 312.365 | Flash Point | 215.8 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 26-36 | Risk Codes | 36/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
1,3-Propanediol,2,2-dimethyl-, dibenzoate (6CI,7CI,8CI,9CI);2,2-Dimethyl-1,3-propanedioldibenzoate;2,2-Dimethyl-1,3-propylene glycol dibenzoate;2,2-Dimethyltrimethylene benzoate; |
Article Data | 6 |
Neopentylglycol dibenzoate Synthetic route
- 98-88-4
benzoyl chloride
- 126-30-7
2,2-Dimethyl-1,3-propanediol
- 4196-89-8
O,O'-bisbenzoyl-2,2-dimethyl-1,3-propylenediol
| Conditions | Yield |
|---|---|
| With pyridine at 20℃; for 1h; | 84% |
| With pyridine for 12h; | 81% |
| With pyridine | |
| With sodium hydroxide |
- 126-30-7
2,2-Dimethyl-1,3-propanediol
- 65-85-0
benzoic acid
- 4196-89-8
O,O'-bisbenzoyl-2,2-dimethyl-1,3-propylenediol
| Conditions | Yield |
|---|---|
| With xylene |
- 149-57-5
2-Ethylhexanoic acid
- 126-30-7
2,2-Dimethyl-1,3-propanediol
- 65-85-0
benzoic acid
C
- 375855-81-5
benzoic acid 3-(2-ethyl-hexanoyloxy)-2,2-dimethyl-propyl ester
D
- 53370-64-2
benzoic acid 3-[3-(benzoyloxy)-2,2-dimethyl-propionyloxy]-2,2-dimethyl-propyl ester
E
- 919106-25-5
benzoic acid 3-{3-[3-(benzoyloxy)-2,2-dimethyl-propionyloxy]-2,2-dimethyl-propionyloxy}-2,2-dimethyl-propyl ester
F
- 23144-57-2
2-ethyl-hexanoic acid 2-[3-(2-ethyl-hexanoyloxy)-2,2-dimethyl-propoxycarbonyl]-2-methyl-propyl ester
G
- 919106-24-4
benzoic acid 3-{3-[3-(2-ethyl-hexanoyloxy)-2,2-dimethyl-propionyloxy]-2,2-dimethyl-propionyloxy}-2,2-dimethyl-propyl ester
H
- 919106-23-3
2-ethyl-hexanoic acid 2-{2-[3-(2-ethyl-hexanoyloxy)-2,2-dimethyl-propoxycarbonyl]-2-methyl-propoxycarbonyl}-2-methyl-propyl ester
I
- 28510-23-8
bis(2-ethylhexanoic acid) 2,2-dimethylpropane-1,3-diyl ester
J
- 4196-89-8
O,O'-bisbenzoyl-2,2-dimethyl-1,3-propylenediol
| Conditions | Yield |
|---|---|
| Stage #1: hydroxypivalyl hydroxypivalate; 2-Ethylhexanoic acid; 2,2-Dimethyl-1,3-propanediol; benzoic acid; titanium(IV) isopropylate at 220℃; for 8h; Stage #2: With sodium hydroxide In water Product distribution / selectivity; |
- 149-57-5
2-Ethylhexanoic acid
- 65-85-0
benzoic acid
C
- 375855-81-5
benzoic acid 3-(2-ethyl-hexanoyloxy)-2,2-dimethyl-propyl ester
D
- 53370-64-2
benzoic acid 3-[3-(benzoyloxy)-2,2-dimethyl-propionyloxy]-2,2-dimethyl-propyl ester
E
- 919106-25-5
benzoic acid 3-{3-[3-(benzoyloxy)-2,2-dimethyl-propionyloxy]-2,2-dimethyl-propionyloxy}-2,2-dimethyl-propyl ester
F
- 23144-57-2
2-ethyl-hexanoic acid 2-[3-(2-ethyl-hexanoyloxy)-2,2-dimethyl-propoxycarbonyl]-2-methyl-propyl ester
G
- 919106-24-4
benzoic acid 3-{3-[3-(2-ethyl-hexanoyloxy)-2,2-dimethyl-propionyloxy]-2,2-dimethyl-propionyloxy}-2,2-dimethyl-propyl ester
H
- 919106-23-3
2-ethyl-hexanoic acid 2-{2-[3-(2-ethyl-hexanoyloxy)-2,2-dimethyl-propoxycarbonyl]-2-methyl-propoxycarbonyl}-2-methyl-propyl ester
I
- 28510-23-8
bis(2-ethylhexanoic acid) 2,2-dimethylpropane-1,3-diyl ester
J
- 4196-89-8
O,O'-bisbenzoyl-2,2-dimethyl-1,3-propylenediol
| Conditions | Yield |
|---|---|
| Stage #1: hydroxypivalyl hydroxypivalate; 2-Ethylhexanoic acid; benzoic acid; titanium(IV) isopropylate In xylene at 220℃; for 8h; Stage #2: With sodium hydroxide In water Product distribution / selectivity; | |
| Stage #1: hydroxypivalyl hydroxypivalate; 2-Ethylhexanoic acid; benzoic acid; titanium(IV) isopropylate at 220℃; for 8h; Stage #2: With sodium hydroxide In water Product distribution / selectivity; |
- 65-85-0
benzoic acid
A
- 53370-64-2
benzoic acid 3-[3-(benzoyloxy)-2,2-dimethyl-propionyloxy]-2,2-dimethyl-propyl ester
B
- 919106-25-5
benzoic acid 3-{3-[3-(benzoyloxy)-2,2-dimethyl-propionyloxy]-2,2-dimethyl-propionyloxy}-2,2-dimethyl-propyl ester
C
- 4196-89-8
O,O'-bisbenzoyl-2,2-dimethyl-1,3-propylenediol
| Conditions | Yield |
|---|---|
| Stage #1: hydroxypivalyl hydroxypivalate; benzoic acid; titanium(IV) isopropylate In xylene at 220℃; for 8h; Stage #2: With sodium hydroxide In water Product distribution / selectivity; |
- 4196-89-8
O,O'-bisbenzoyl-2,2-dimethyl-1,3-propylenediol
- 7585-39-9
β‐cyclodextrin
- 1353548-43-2
β-cyclodextrin O,O'-dibenzoyl-2,2-dimethyl-1,3-propylendiol
| Conditions | Yield |
|---|---|
| In water at 70℃; for 1h; | 47% |
| In water at 70℃; for 1h; | 47% |
Neopentylglycol dibenzoate Specification
The 1, 3-Propanediol, 2, 2-dimethyl-, 1, 3-dibenzoate, with the CAS registry number of 4196-89-8, is also known as 2, 2-Dimethylpropane-1, 3-diyl dibenzoate. It belongs to the product category of Intermediates of Dyes and Pigments. Its EINECS registry number is 224-081-9. This chemical's molecular formula is C19H20O4 and molecular weight is 312.36. What's more, its IUPAC name is (3-Benzoyloxy-2, 2-dimethylpropyl) benzoate. In addition, it must be stored in airtight containers and placed in a dry, ventilated place. Meanwhile, it should be avoided contact with light.
Physical properties about 1, 3-Propanediol, 2, 2-dimethyl-, 1, 3-dibenzoate are: (1)ACD/LogP: 5.40; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.4; (4)ACD/LogD (pH 7.4): 5.4; (5)ACD/BCF (pH 5.5): 7443.43; (6)ACD/BCF (pH 7.4): 7443.43; (7)ACD/KOC (pH 5.5): 20559.19; (8)ACD/KOC (pH 7.4): 20559.19; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 52.6 Å2; (13)Index of Refraction: 1.55; (14)Molar Refractivity: 87.86 cm3; (15)Molar Volume: 275.6 cm3; (16)Surface Tension: 43.1 dyne/cm; (17)Density: 1.133 g/cm3; (18)Flash Point: 215.8 °C; (19)Enthalpy of Vaporization: 69.27 kJ/mol; (20)Boiling Point: 436.2 °C at 760 mmHg; (21)Vapour Pressure: 8.22E-08 mmHg at 25 °C.
When you are using 1, 3-Propanediol, 2, 2-dimethyl-, 1, 3-dibenzoate, please be cautious about it as the following:
As a chemical, it is irritating to eyes and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC(C)(C)COC(=O)c1ccccc1)c2ccccc2
(2) InChI: InChI=1/C19H20O4/c1-19(2,13-22-17(20)15-9-5-3-6-10-15)14-23-18(21)16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3
(3) InChIKey: DYJIIMFHSZKBDY-UHFFFAOYAS
What can I do for you?
Get Best Price
