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103-37-7,MFCD00027133
Catalog No.:AA003O18

103-37-7 | Benzyl butyrate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100g
98%
in stock  
$9.00   $7.00
- +
500g
98%
in stock  
$31.00   $22.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003O18
Chemical Name:
Benzyl butyrate
CAS Number:
103-37-7
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
MDL Number:
MFCD00027133
SMILES:
CCCC(=O)OCc1ccccc1
NSC Number:
8073
FEMA Number:
2140
Properties
Properties
 
BP:
241.1°C at 760 mmHg  
Form:
Liquid  

Computed Properties
 
Complexity:
148  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
5  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.8  

Downstream Synthesis Route
103-37-7   
benzyl2-benzylbutanoate 

[1]Bacon[AmericanChemicalJournal,1905,vol.33,p.94]Conrad;Hodgkinson[JustusLiebigsAnnalenderChemie,1878,vol.193,p.317]

[1]Brinchi;Germani;Savelli[TetrahedronLetters,2003,vol.44,#10,p.2027-2029]

[2]Cao,Yu-Qing;Wu,Guo-Qiang;Li,Ya-Bin;Dai,Zhi;Chen,Bao-Hua[SyntheticCommunications,2006,vol.36,#22,p.3353-3358]

[3]Bacon[ChemischesZentralblatt,1908,vol.79,#II,p.945]

[4]Gomberg;Buchler[JournaloftheAmericanChemicalSociety,1920,vol.42,p.2065]

[1]Locationinpatent:experimentalpartWu,Xiaodan;Han,Xiaoxiang;Zhou,Lingxiao;Li,Ang[IndianJournalofChemistry,SectionA:Inorganic,Physical,TheoreticalandAnalytical,2012,vol.51,#6,p.791-799]

[2]Fan,Xingjun;Yuan,Keguo;Hao,Caili;Li,Nan;Tan,Ganzu;Yu,Xianda[OrganicPreparationsandProceduresInternational,2000,vol.32,#3,p.287-290]

[3]Goswami;Chowdhury[NewJournalofChemistry,2000,vol.24,#12,p.955-957]

[4]Dev,Dharm;Palakurthy,NaniBabu;Thalluri,Kishore;Chandra,Jyoti;Mandal,Bhubaneswar[JournalofOrganicChemistry,2014,vol.79,#12,p.5420-5431]

[5]Jarvi,MelissaE.;Makitalo,CodyL.;Rohde,GregoryT.;Saito,Akio;Shea,MichaelT.;Yoshimura,Akira;Yusubov,MekhmanS.;Zhdankin,ViktorV.[BeilsteinJournalofOrganicChemistry,2018,vol.14,p.1016-1020]

[6]Zhao,Jinlong;Shi,Jiarong;Li,Yang[OrganicLetters,2021,vol.23,#18,p.7274-7278]

[7]Nguyen,ThanhV.;Lyons,DemelzaJ.M.[ChemicalCommunications,2015,vol.51,#15,p.3131-3134]

[8]Lam,Ying-Pong;Ng,Wing-Hin;Tan,Fei;Tse,Ying-LungSteve;Wang,Xinyan;Yeung,Ying-Yeung[ACSCatalysis,2019,p.8083-8092]

[9]Daniewski[1958,vol.8,#1,p.41,43][Chem.Abstr.,1958,p.20016]

[10]Thompson;Leuck[JournaloftheAmericanChemicalSociety,1922,vol.44,p.2895,2896]

[11]Daniewski[1958,vol.8,#1,p.41,43][Chem.Abstr.,1958,p.20016]

[12]Salechi;Khodaei;Ghareghani;Motlagh[RussianJournalofOrganicChemistry,2003,vol.39,#6,p.794-796]

[13]Mirza-Aghayan,Maryam;Rahimifard,Mahshid;Boukherroub,Rabah[TurkishJournalofChemistry,2014,vol.38,#5,p.859-864]

[14]Wang,Song;Chang,Qian-Qian;Shawgi,Nazar;Li,San-Xi;Zhang,Lin-Nan[ChemicalPapers,2016,vol.70,#5,p.538-544]

[1]Pedersen,B.S.etal.[BulletindesSocietesChimiquesBelges,1978,vol.87,p.293-297]

[1]Ohta,Tomihisa;Kimura,Toshihiko;Sato,Nobuaki;Nozoe,Shigeo[TetrahedronLetters,1988,vol.29,#34,p.4303-4304]

Literature

Title: Fragrance material review on benzyl butyrate.

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

Title: Replacing conventional carbon nucleophiles with electrophiles: nickel-catalyzed reductive alkylation of aryl bromides and chlorides.

Journal: Journal of the American Chemical Society 20120411

Title: The importance of carcass volatiles as attractants for the hide beetle Dermestes maculatus (De Geer).

Journal: Forensic science international 20111010

Title: A new irreversible enzyme-aided esterification method in organic solvents.

Journal: Biotechnology letters 20080501

Title: Determination of 2-hydroxy-4-methoxybenzaldehyde in roots of Decalepis hamiltonii (Wight & Arn.) and Hemidesmus indicus R.Br.

Journal: Journal of AOAC International 20030101

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SDS
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Tags:103-37-7 Molecular Formula|103-37-7 MDL|103-37-7 SMILES|103-37-7 Benzyl butyrate
Catalog No.: AA003O18
103-37-7,MFCD00027133
103-37-7 | Benzyl butyrate
Pack Size： 100g
Purity： 98%
in stock
$9.00 $7.00
Pack Size： 500g
Purity： 98%
in stock
$31.00 $22.00
Quantity
- +
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Technical Information
Catalog Number: AA003O18
Chemical Name: Benzyl butyrate
CAS Number: 103-37-7
Molecular Formula: C11H14O2
Molecular Weight: 178.2277
MDL Number: MFCD00027133
SMILES: CCCC(=O)OCc1ccccc1
NSC Number: 8073
FEMA Number: 2140
Properties
BP: 241.1°C at 760 mmHg  
Form: Liquid  
Complexity: 148  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 13  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 5  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.8  
Downstream Synthesis Route
103-37-7   
benzyl2-benzylbutanoate 

[1]Bacon[AmericanChemicalJournal,1905,vol.33,p.94]Conrad;Hodgkinson[JustusLiebigsAnnalenderChemie,1878,vol.193,p.317]

156-54-7    100-44-7    103-37-7 

[1]Brinchi;Germani;Savelli[TetrahedronLetters,2003,vol.44,#10,p.2027-2029]

[2]Cao,Yu-Qing;Wu,Guo-Qiang;Li,Ya-Bin;Dai,Zhi;Chen,Bao-Hua[SyntheticCommunications,2006,vol.36,#22,p.3353-3358]

[3]Bacon[ChemischesZentralblatt,1908,vol.79,#II,p.945]

[4]Gomberg;Buchler[JournaloftheAmericanChemicalSociety,1920,vol.42,p.2065]

100-51-6    107-92-6    103-37-7 

[1]Locationinpatent:experimentalpartWu,Xiaodan;Han,Xiaoxiang;Zhou,Lingxiao;Li,Ang[IndianJournalofChemistry,SectionA:Inorganic,Physical,TheoreticalandAnalytical,2012,vol.51,#6,p.791-799]

[2]Fan,Xingjun;Yuan,Keguo;Hao,Caili;Li,Nan;Tan,Ganzu;Yu,Xianda[OrganicPreparationsandProceduresInternational,2000,vol.32,#3,p.287-290]

[3]Goswami;Chowdhury[NewJournalofChemistry,2000,vol.24,#12,p.955-957]

[4]Dev,Dharm;Palakurthy,NaniBabu;Thalluri,Kishore;Chandra,Jyoti;Mandal,Bhubaneswar[JournalofOrganicChemistry,2014,vol.79,#12,p.5420-5431]

[5]Jarvi,MelissaE.;Makitalo,CodyL.;Rohde,GregoryT.;Saito,Akio;Shea,MichaelT.;Yoshimura,Akira;Yusubov,MekhmanS.;Zhdankin,ViktorV.[BeilsteinJournalofOrganicChemistry,2018,vol.14,p.1016-1020]

[6]Zhao,Jinlong;Shi,Jiarong;Li,Yang[OrganicLetters,2021,vol.23,#18,p.7274-7278]

[7]Nguyen,ThanhV.;Lyons,DemelzaJ.M.[ChemicalCommunications,2015,vol.51,#15,p.3131-3134]

[8]Lam,Ying-Pong;Ng,Wing-Hin;Tan,Fei;Tse,Ying-LungSteve;Wang,Xinyan;Yeung,Ying-Yeung[ACSCatalysis,2019,p.8083-8092]

[9]Daniewski[1958,vol.8,#1,p.41,43][Chem.Abstr.,1958,p.20016]

[10]Thompson;Leuck[JournaloftheAmericanChemicalSociety,1922,vol.44,p.2895,2896]

[11]Daniewski[1958,vol.8,#1,p.41,43][Chem.Abstr.,1958,p.20016]

[12]Salechi;Khodaei;Ghareghani;Motlagh[RussianJournalofOrganicChemistry,2003,vol.39,#6,p.794-796]

[13]Mirza-Aghayan,Maryam;Rahimifard,Mahshid;Boukherroub,Rabah[TurkishJournalofChemistry,2014,vol.38,#5,p.859-864]

[14]Wang,Song;Chang,Qian-Qian;Shawgi,Nazar;Li,San-Xi;Zhang,Lin-Nan[ChemicalPapers,2016,vol.70,#5,p.538-544]

103-37-7    67520-17-6 

[1]Pedersen,B.S.etal.[BulletindesSocietesChimiquesBelges,1978,vol.87,p.293-297]

103-37-7    75857-94-2    119813-70-6 

[1]Ohta,Tomihisa;Kimura,Toshihiko;Sato,Nobuaki;Nozoe,Shigeo[TetrahedronLetters,1988,vol.29,#34,p.4303-4304]

Literature fold

Title: Fragrance material review on benzyl butyrate.

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

Title: Replacing conventional carbon nucleophiles with electrophiles: nickel-catalyzed reductive alkylation of aryl bromides and chlorides.

Journal: Journal of the American Chemical Society20120411

Title: The importance of carcass volatiles as attractants for the hide beetle Dermestes maculatus (De Geer).

Journal: Forensic science international20111010

Title: A new irreversible enzyme-aided esterification method in organic solvents.

Journal: Biotechnology letters20080501

Title: Determination of 2-hydroxy-4-methoxybenzaldehyde in roots of Decalepis hamiltonii (Wight & Arn.) and Hemidesmus indicus R.Br.

Journal: Journal of AOAC International20030101

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