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151-05-3,MFCD00026196
Catalog No.:AA001MXC

151-05-3 | Benzeneethanol, α,α-dimethyl-, 1-acetate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$18.00   $13.00
- +
5g
98%
in stock  
$29.00   $20.00
- +
25g
98%
in stock  
$37.00   $26.00
- +
100g
98%
in stock  
$79.00   $55.00
- +
250g
98 - 100%
in stock  
$173.00   $122.00
- +
500g
98%
in stock  
$261.00 $183.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA001MXC
Chemical Name:
Benzeneethanol, α,α-dimethyl-, 1-acetate
CAS Number:
151-05-3
Molecular Formula:
C12H16O2
Molecular Weight:
192.2542
MDL Number:
MFCD00026196
SMILES:
CC(=O)OC(Cc1ccccc1)(C)C
NSC Number:
46123
FEMA Number:
2392
Properties
Properties
 
BP:
258.2°C at 760 mmHg  
Form:
Solid  
MP:
31.0 to 35.0 °C  
Refractive Index:
n20/D 1.4925(lit.)  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
191  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.7  

Downstream Synthesis Route

[1]Theine,A.;Traynham,J.G.[JournalofOrganicChemistry,1974,vol.39,p.153-157]

[1]Chatani,N.;Fujii,S.;Yamasaki,Y.[JournaloftheAmericanChemicalSociety,1986,vol.108,p.7361]

[1]Kita,Yasuyuki;Maeda,Hiroshi;Omori,Kana;Okuno,Takayuki;Tamura,Yasumitsu[JournaloftheChemicalSociety.PerkintransactionsI,1993,#23,p.2999-3006]

[1]Sano,Hiroshi;Takeda,Toshimitsu;Migita,Toshihiko[ChemistryLetters,1988,p.119-122]

[2]Sano,Hiroshi;Takeda,Toshimitsu;Migita,Toshihiko[ChemistryLetters,1988,p.119-122]

[1]Sera,Akira;Yamada,Hiroaki;Masaki,Hitoshi[ChemistryLetters,1980,p.1533-1536]

Literature

Title: Fragrance material review on 1,1-dimethyl-2-phenylethyl acetate.

Journal: Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association 20120901

Quotation Request
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SDS
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Tags:151-05-3 Molecular Formula|151-05-3 MDL|151-05-3 SMILES|151-05-3 Benzeneethanol, α,α-dimethyl-, 1-acetate
Catalog No.: AA001MXC
151-05-3,MFCD00026196
151-05-3 | Benzeneethanol, α,α-dimethyl-, 1-acetate
Pack Size： 1g
Purity： 95%
in stock
$18.00 $13.00
Pack Size： 5g
Purity： 98%
in stock
$29.00 $20.00
Pack Size： 25g
Purity： 98%
in stock
$37.00 $26.00
Pack Size： 100g
Purity： 98%
in stock
$79.00 $55.00
Pack Size： 250g
Purity： 98 - 100%
in stock
$173.00 $122.00
Pack Size： 500g
Purity： 98%
in stock
$261.00 $183.00
Quantity
- +
Add to Card
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bulk Quotation Request
Technical Information
Catalog Number: AA001MXC
Chemical Name: Benzeneethanol, α,α-dimethyl-, 1-acetate
CAS Number: 151-05-3
Molecular Formula: C12H16O2
Molecular Weight: 192.2542
MDL Number: MFCD00026196
SMILES: CC(=O)OC(Cc1ccccc1)(C)C
NSC Number: 46123
FEMA Number: 2392
Properties
BP: 258.2°C at 760 mmHg  
Form: Solid  
MP: 31.0 to 35.0 °C  
Refractive Index: n20/D 1.4925(lit.)  
Storage: Keep in dry area;Room Temperature;  
Complexity: 191  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 14  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 4  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.7  
Downstream Synthesis Route
108-24-7    67-64-1    6921-34-2    151-05-3 

[1]Theine,A.;Traynham,J.G.[JournalofOrganicChemistry,1974,vol.39,p.153-157]

760-32-7    201230-82-2    151-05-3    3290-53-7    538-93-2    768-49-0 

[1]Chatani,N.;Fujii,S.;Yamasaki,Y.[JournaloftheAmericanChemicalSociety,1986,vol.108,p.7361]

5177-66-2    100-86-7    151-05-3 

[1]Kita,Yasuyuki;Maeda,Hiroshi;Omori,Kana;Okuno,Takayuki;Tamura,Yasumitsu[JournaloftheChemicalSociety.PerkintransactionsI,1993,#23,p.2999-3006]

151-05-3    538-93-2 

[1]Sano,Hiroshi;Takeda,Toshimitsu;Migita,Toshihiko[ChemistryLetters,1988,p.119-122]

[2]Sano,Hiroshi;Takeda,Toshimitsu;Migita,Toshihiko[ChemistryLetters,1988,p.119-122]

21816-03-5    64-19-7    3290-53-7    768-49-0    151-05-3 

[1]Sera,Akira;Yamada,Hiroaki;Masaki,Hitoshi[ChemistryLetters,1980,p.1533-1536]

Literature fold

Title: Fragrance material review on 1,1-dimethyl-2-phenylethyl acetate.

Journal: Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association20120901

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