A24001
Acrolein diethyl acetal
96%
Manufacturer: Sigma Aldrich
CAS Number: 3054-95-3
Synonym(S): 3,3-Diethoxy-1-propene
Select a Size
| Pack Size | SKU | Availability | Price |
|---|---|---|---|
| 25 G | A24001-25-G | In Stock | ₹ 5,574.88 |
| 100 G | A24001-100-G | In Stock | ₹ 15,046.75 |
A24001 - 25 G
In Stock
Quantity
1
Base Price: ₹ 5,574.88
GST (18%): ₹ 1,003.478
Total Price: ₹ 6,578.358
Quality Level
200
Assay
96%
form
liquid
refractive index
n20/D 1.398 (lit.)
bp
125 °C (lit.)
density
0.854 g/mL at 25 °C (lit.)
SMILES string
CCOC(OCC)C=C
InChI
1S/C7H14O2/c1-4-7(8-5-2)9-6-3/h4,7H,1,5-6H2,2-3H3
InChI key
MCIPQLOKVXSHTD-UHFFFAOYSA-N
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | eMolecules Apollo Scientific US - Building Blocks Acrolein diethyl acetal 250g 398004640 OR40659 96.000 3054-95-3 MFCD00009239 130.187 C7H14O2 | eMolecules | ₹ 14,483.60 | |
 | 3054-95-3 | 1-Propene, 3,3-diethoxy- | A2B Chem | ₹ 1,540.08 - ₹ 15,058.56 |
Related Products
Description
- Application: Acrolein diethyl acetal is widely used to carry out chemoselective Heck arylation to synthesize either 3-arylpropanoate esters or cinnamaldehyde derivatives.[1][2][3]It can also be used as one of the precursors to synthesize natural products like (−)-(Z)-Deoxypukalide[4], (−)-Laulimalide[5], botryodiplodin[6], neolaulimalide and isolaulimalide.[7]
SAFETY INFORMATION
Pictograms
Signal Word
Danger
Hazard Statements
Precautionary Statements
Hazard Classifications
Eye Irrit. 2 - Flam. Liq. 2
WGK
WGK 3
Flash Point(F)
59.0 °F
Flash Point(C)
15 °C
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Compare Similar Items
Show Difference
Quality Level: 200
Assay: 96%
form: liquid
refractive index: n20/D 1.398 (lit.)
bp: 125 °C (lit.)
density: 0.854 g/mL at 25 °C (lit.)
SMILES string: CCOC(OCC)C=C
InChI: 1S/C7H14O2/c1-4-7(8-5-2)9-6-3/h4,7H,1,5-6H2,2-3H3
InChI key: MCIPQLOKVXSHTD-UHFFFAOYSA-N
Quality Level:
200
Assay:
96%
form:
liquid
refractive index:
n20/D 1.398 (lit.)
bp:
125 °C (lit.)
density:
0.854 g/mL at 25 °C (lit.)
SMILES string:
CCOC(OCC)C=C
InChI:
1S/C7H14O2/c1-4-7(8-5-2)9-6-3/h4,7H,1,5-6H2,2-3H3
InChI key:
MCIPQLOKVXSHTD-UHFFFAOYSA-N
Quality Level: 200
Assay: ≥97% (HPLC)
form: powder
refractive index: __
bp: __
density: __
SMILES string: CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N6CCC[C@H]6C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
InChI: 1S/C95H145N29O23S/c1-53(2)78(91(144)109-49-75(128)111-62(22-9-12-35-96)81(134)113-63(23-10-13-36-97)82(135)117-68(93(146)147)26-16-39-106-95(102)103)123-90(143)74-27-17-40-124(74)92(145)67(24-11-14-37-98)112-76(129)48-108-80(133)71(44-56-46-107-61-21-8-7-20-59(56)61)120-83(136)64(25-15-38-105-94(100)101)114-86(139)70(42-54-18-5-4-6-19-54)119-88(141)72(45-57-47-104-52-110-57)121-84(137)65(32-33-77(130)131)115-85(138)66(34-41-148-3)116-89(142)73(51-126)122-87(140)69(118-79(132)60(99)50-125)43-55-28-30-58(127)31-29-55/h4-8,18-21,28-31,46-47,52-53,60,62-74,78,107,125-127H,9-17,22-27,32-45,48-51,96-99H2,1-3H3,(H,104,110)(H,108,133)(H,109,144)(H,111,128)(H,112,129)(H,113,134)(H,114,139)(H,115,138)(H,116,142)(H,117,135)(H,118,132)(H,119,141)(H,120,136)(H,121,137)(H,122,140)(H,123,143)(H,130,131)(H,146,147)(H4,100,101,105)(H4,102,103,106)/t60-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,78-/m0/s1
InChI key: MXNMAFWEFLFAJN-QBQLSIIBSA-N
Quality Level:
200
Assay:
≥97% (HPLC)
form:
powder
refractive index:
__
bp:
__
density:
__
SMILES string:
CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N6CCC[C@H]6C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
InChI:
1S/C95H145N29O23S/c1-53(2)78(91(144)109-49-75(128)111-62(22-9-12-35-96)81(134)113-63(23-10-13-36-97)82(135)117-68(93(146)147)26-16-39-106-95(102)103)123-90(143)74-27-17-40-124(74)92(145)67(24-11-14-37-98)112-76(129)48-108-80(133)71(44-56-46-107-61-21-8-7-20-59(56)61)120-83(136)64(25-15-38-105-94(100)101)114-86(139)70(42-54-18-5-4-6-19-54)119-88(141)72(45-57-47-104-52-110-57)121-84(137)65(32-33-77(130)131)115-85(138)66(34-41-148-3)116-89(142)73(51-126)122-87(140)69(118-79(132)60(99)50-125)43-55-28-30-58(127)31-29-55/h4-8,18-21,28-31,46-47,52-53,60,62-74,78,107,125-127H,9-17,22-27,32-45,48-51,96-99H2,1-3H3,(H,104,110)(H,108,133)(H,109,144)(H,111,128)(H,112,129)(H,113,134)(H,114,139)(H,115,138)(H,116,142)(H,117,135)(H,118,132)(H,119,141)(H,120,136)(H,121,137)(H,122,140)(H,123,143)(H,130,131)(H,146,147)(H4,100,101,105)(H4,102,103,106)/t60-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,78-/m0/s1
InChI key:
MXNMAFWEFLFAJN-QBQLSIIBSA-N
Quality Level: 300
Assay: ≥80% (HPLC)≥80% (spectrophotometric assay)
form: powder
refractive index: __
bp: __
density: __
SMILES string: O=C(O[H])[C@](N([H])[H])([H])C([H])([H])C([H])([H])[S@+](C([H])([H])[H])C([H])([H])[C@@]([C@](O[H])([H])[C@@]1([H])O[H])([H])O[C@]1([H])N2C3=C(N=C2[H])C(N([H])[H])=NC([H])=N3.O=S(C4=C([H])C([H])=C(C([H])([H])[H])C([H])=C4[H])([O-])=O
InChI: __
InChI key: __
Quality Level:
300
Assay:
≥80% (HPLC)≥80% (spectrophotometric assay)
form:
powder
refractive index:
__
bp:
__
density:
__
SMILES string:
O=C(O[H])[C@](N([H])[H])([H])C([H])([H])C([H])([H])[S@+](C([H])([H])[H])C([H])([H])[C@@]([C@](O[H])([H])[C@@]1([H])O[H])([H])O[C@]1([H])N2C3=C(N=C2[H])C(N([H])[H])=NC([H])=N3.O=S(C4=C([H])C([H])=C(C([H])([H])[H])C([H])=C4[H])([O-])=O
InChI:
__
InChI key:
__
Quality Level: 300
Assay: ≥80% (HPLC)≥80% (spectrophotometric assay)
form: powder
refractive index: __
bp: __
density: __
SMILES string: O=C(O[H])[C@](N([H])[H])([H])C([H])([H])C([H])([H])[S@+](C([H])([H])[H])C([H])([H])[C@@]([C@](O[H])([H])[C@@]1([H])O[H])([H])O[C@]1([H])N2C3=C(N=C2[H])C(N([H])[H])=NC([H])=N3.O=S(C4=C([H])C([H])=C(C([H])([H])[H])C([H])=C4[H])([O-])=O
InChI: __
InChI key: __
Quality Level:
300
Assay:
≥80% (HPLC)≥80% (spectrophotometric assay)
form:
powder
refractive index:
__
bp:
__
density:
__
SMILES string:
O=C(O[H])[C@](N([H])[H])([H])C([H])([H])C([H])([H])[S@+](C([H])([H])[H])C([H])([H])[C@@]([C@](O[H])([H])[C@@]1([H])O[H])([H])O[C@]1([H])N2C3=C(N=C2[H])C(N([H])[H])=NC([H])=N3.O=S(C4=C([H])C([H])=C(C([H])([H])[H])C([H])=C4[H])([O-])=O
InChI:
__
InChI key:
__