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ChemicalBook--->CAS DataBase List--->136-60-7

136-60-7

136-60-7 Structure

136-60-7 Structure
IdentificationMore
[Name]

Butyl benzoate
[CAS]

136-60-7
[Synonyms]

BENZOIC ACID BUTYL ESTER
BENZOIC ACID N-BUTYL ESTER
BUTYL BENZOATE
FEMA 8752
N-BUTYL BENZOATE
1-butylbenzoate
Anthrapole az
anthrapoleaz
Benzoicacidbutylestet
Butyl ester of benzoic acid
Butylbenzoat
Butylester kyseliny benzoove
butylesterkyselinybenzoove
DAI CARI XBN
daicarixbn
Hipochem B-3-M
Marvanol Carrier BB
n-Butyl
N-BUTYL BENZOATE, 1000MG, NEAT
BUTYL BENZOATE 98+%
[EINECS(EC#)]

205-252-7
[Molecular Formula]

C11H14O2
[MDL Number]

MFCD00009439
[Molecular Weight]

178.23
[MOL File]

136-60-7.mol
Chemical PropertiesBack Directory
[Appearance]

clear yellowish oily liquid
[Melting point ]

-22 °C
[Boiling point ]

249 °C (lit.)
[density ]

1.01 g/mL at 25 °C(lit.)
[vapor pressure ]

8.5Pa at 20℃
[refractive index ]

n20/D 1.498(lit.)
[Fp ]

223 °F
[storage temp. ]

room temp
[solubility ]

0.06g/l
[form ]

Oily Liquid
[color ]

Clear yellow
[Odor]

at 100.00 %. mild amber balsam fruity
[Odor Type]

balsamic
[Water Solubility ]

34.1mg/L at 20℃
[Merck ]

14,1552
[BRN ]

1867073
[LogP]

3.3
[CAS DataBase Reference]

136-60-7(CAS DataBase Reference)
[NIST Chemistry Reference]

Benzoic acid, butyl ester(136-60-7)
[EPA Substance Registry System]

136-60-7(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xn,Xi
[Risk Statements ]

R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

2
[RTECS ]

DG4925000
[TSCA ]

Yes
[HS Code ]

29163100
[Safety Profile]

Moderately toxic by skin contact. Mildly toxic by ingestion. Severe skin irritant and moderate eye irritant. Combustible when exposed to heat or flame; can react with oxidizing materials. To fight fire, use Co2, dry chemical, water mist, fog, spray. When heated to decomposition it emits acrid and irritating fumes. See also ESTERS.
[Hazardous Substances Data]

136-60-7(Hazardous Substances Data)
[Toxicity]

LD50 orally in rats: 5.14 g/kg (Smyth)
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Carbon tetrachloride-->1-Butanol, 4-bromo-, 1-benzoate-->Carbamic acid, N-benzoyl-N-(phenylmethyl)-, 1,1-dimethylethyl ester-->Butoxy(tert-butyl)dimethylsilane-->4-IODOBUTYL BENZOATE-->2,2,2-trichloroacetophenone-->Valerophenone-->PHENYL VALERATE
[Preparation Products]

Butyl 2-[[3-[[(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)amino]carbonyl]-2-hydroxy-1-naphthyl]azo]benzoate-->6-Methyluracil
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Butyl benzoate(136-60-7).msds
Hazard InformationBack Directory
[Chemical Properties]

clear yellowish oily liquid
[Application]

Butyl benzoate has been used as:
preservative in commercial cosmetic lotions
as involatile solvent, for sampling of isocyanates with silica gel solid phase extraction
[Uses]

It is used as a solvent for cellulose ether, a dye carrier for textiles, and a perfume ingredient . It occurs naturally as a volatile component of various fruits and vegetables . It has been approved by the FDA as an indirect food additive for use as a component of adhesives.
[Definition]

ChEBI: Butyl benzoate is a benzoate ester obtained by condensation of benzoic acid and butanol. It is used as a perfume ingredient and as a solvent for cellulose ether, a dye carrier for textiles. It has a role as an antimicrobial food preservative, a fragrance and a plant metabolite.
[Production Methods]

Butyl benzoate is formed by the direct esterification of n-butyl alcohol with benzoic acid under azeotropic conditions .
[Synthesis Reference(s)]

Journal of the American Chemical Society, 111, p. 8742, 1989 DOI: 10.1021/ja00205a039
Synthetic Communications, 14, p. 857, 1984 DOI: 10.1080/00397918408075729
The Journal of Organic Chemistry, 39, p. 3318, 1974 DOI: 10.1021/jo00937a003
[Flammability and Explosibility]

Notclassified
Spectrum DetailBack Directory
[Spectrum Detail]

Butyl benzoate(136-60-7)1HNMR
Butyl benzoate(136-60-7)13CNMR
Butyl benzoate(136-60-7)IR1
Butyl benzoate(136-60-7)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Butyl benzoate, 98+%(136-60-7)
[Alfa Aesar]

n-Butyl benzoate, 98%(136-60-7)
[Sigma Aldrich]

136-60-7(sigmaaldrich)
[TCI AMERICA]

Butyl Benzoate,>99.0%(GC)(136-60-7)
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