Butyl benzoate

Butyl benzoate Basic information
Product Name:Butyl benzoate
Synonyms:IP Carrier N-20;Butyl benzoate, 98+% 1KG;Butyl benzoate, 98+% 5GR;BUTYL BENZOATE FOR SYNTHESIS 500 ML;BUTYL BENZOATE FOR SYNTHESIS 100 ML;1-butoxy-3-(tert-butyl)benzene;1-butylbenzoate;Anthrapole az
CAS:136-60-7
MF:C11H14O2
MW:178.23
EINECS:205-252-7
Product Categories:Organics;C10 to C11;Carbonyl Compounds;Esters;A-B;Alphabetical Listings;Flavors and Fragrances;A-BAlphabetic;Alpha Sort;B;BI - BZ;Volatiles/ Semivolatiles
Mol File:136-60-7.mol
Butyl benzoate Structure
Butyl benzoate Chemical Properties
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
Odorat 100.00 %. mild amber balsam fruity
Odor Typebalsamic
Water Solubility 34.1mg/L at 20℃
Merck 14,1552
BRN 1867073
LogP3.3
CAS DataBase Reference136-60-7(CAS DataBase Reference)
NIST Chemistry ReferenceBenzoic acid, butyl ester(136-60-7)
EPA Substance Registry SystemButyl benzoate (136-60-7)
Safety Information
Hazard Codes Xn,Xi
Risk Statements 22-36/37/38
Safety Statements 26-36
WGK Germany 2
RTECS DG4925000
TSCA Yes
HS Code 29163100
Hazardous Substances Data136-60-7(Hazardous Substances Data)
ToxicityLD50 orally in rats: 5.14 g/kg (Smyth)
MSDS Information
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Butyl benzoate English
SigmaAldrich English
ACROS English
ALFA English
Butyl benzoate Usage And Synthesis
Chemical Propertiesclear yellowish oily liquid. soluble in 95% ethanol and oil, with sweet and soft with astringent floral and paste fragrance, very light ambergris scent, woody and spicy underlying fragrance. The aroma is weak and lingers long.
UsesButyl benzoate 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.
ApplicationButyl benzoate has been used as:
preservative in commercial cosmetic lotions
as involatile solvent, for sampling of isocyanates with silica gel solid phase extraction
DefinitionChEBI: 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 MethodsButyl 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 ExplosibilityNotclassified
Safety ProfileModerately 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.
N-BUTYL 4-NITROBENZOATE 4-(VINYLOXY)BUTYL BENZOATE 98,4-(VINYLOXY)BUTYL BENZOATE 98%,4-(VINYLOXY)BUTYL BENZOATE 98,4-(VINYLOXY)BUTYL BENZOATE 98% Dodecyl gallate 4-(4-NITROBENZOYLOXY)-2,2,6,6-TETRAMETHYL-1-PIPERIDINYLOXY Androstanolone 17-benzoate Butyl 2-[[3-[[(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)amino]carbonyl]-2-hydroxy-1-naphthyl]azo]benzoate Butylparaben sodium salt OXALIC ACID BIS[2,4,5-TRICHLORO-6-(PENTYLOXYCARBONYL)PHENYL] ESTER 2,3,4,6-TETRA-O-BENZOYL-ALPHA-D-GLUCOPYRANOSYL BROMIDE (2,6-DICHLORO-4-PYRIDYL)METHYL 4-(TERT-BUTYL)BENZOATE, TECH,(2,6-DICHLORO-4-PYRIDYL)METHYL 4-(TERT-BUTYL)BENZOATE, TECH (-)-TETRA-O-BENZOYL-2-HYDROXY-D-GLUCAL 5-Chloropentyl benzoate ALPHA-D-GLUCOPYRANOSE PENTABENZOATE 8-(DIETHYLAMINO)OCTYL 3,4,5-TRIMETHOXYBENZOATE HYDROCHLORIDE Octyl gallate Butyl 4-aminobenzoate ETHYL-P-TERT-BUTYL BENZOATE,ETHYL-P-TERT-BUTYL BENZOATE 1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-5-YL 4-(TERT-BUTYL)BENZOATE,1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-5-YL 4-(TERT-BUTYL)BENZOATE

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