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136-60-7
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???(??):
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???:
Butyl benzoate
???(??):
n-Butyl;TGI;NSC 8474;FEMA 8752;AI3-00521;HSDB 2089;daicarixbn;BRN 1867073;anthrapoleaz;Butylbenzoat
CBNumber:
CB9357923
???:
C11H14O2
??? ??:
178.23
MOL ??:
136-60-7.mol
MSDS ??:
SDS

???????????? ??

???
-22 °C
?? ?
249 °C (lit.)
??
1.01 g/mL at 25 °C (lit.)
???
8.5Pa at 20℃
???
n20/D 1.498(lit.)
???
223 °F
?? ??
room temp
???
0.06g/L
??? ??
??? ??
??
?? ???
??
100.00%??. ??? ?? ?? ???
?? ??
???
???
34.1mg/L at 20℃
Merck
14,1552
BRN
1867073
Henry's Law Constant
2.5×10-1 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
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??
?? ???
??? ?? ??
Butyl benzoate (136-60-7)
InChI
1S/C11H14O2/c1-2-3-9-13-11(12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3
InChIKey
XSIFPSYPOVKYCO-UHFFFAOYSA-N
SMILES
CCCCOC(=O)c1ccccc1
LogP
3.3
CAS ??????
136-60-7(CAS DataBase Reference)
NIST
Benzoic acid, butyl ester(136-60-7)
EPA
Butyl benzoate (136-60-7)
??
  • ?? ? ?? ??
  • ?? ? ???? ?? (GHS)
??? ?? Xn,Xi
?? ???? ?? 22-36/37/38
????? 26-36
WGK ?? 2
RTECS ?? DG4925000
TSCA TSCA listed
HS ?? 29163100
???? ??? 10 - Combustible liquids
Hazard Classifications Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
?? ?? ??? 136-60-7(Hazardous Substances Data)
?? LD50 orally in rats: 5.14 g/kg (Smyth)
???? ?? KE-04207
????(GHS): Exclamation Mark (GHS07)
?? ?: Warning
??·?? ??:
?? ??·?? ?? ?? ?? ?? ?? ? ?? ?? P- ??
H302 ??? ??? ?? ?? ?? - ?? ?? 4 ?? P264, P270, P301+P312, P330, P501
H315 ??? ??? ??? ????? ?? ????? ?? 2 ?? P264, P280, P302+P352, P321,P332+P313, P362
H319 ?? ?? ??? ??? ?? ? ?? ?? ??? ?? ?? 2A ?? P264, P280, P305+P351+P338,P337+P313P
??????:
P264 ?? ??? ?? ??? ????.
P264 ?? ??? ?? ??? ????.
P270 ? ??? ??? ??? ???, ???? ???? ???.
P280 ????/???/???/?????? ?????.
P301+P312 ??? ???? ??? ????(??)? ??? ????.
P302+P352 ??? ??? ??? ?? ????.
P305+P351+P338 ?? ??? ? ?? ?? ???? ????. ???? ?????? ?????. ?? ????.
NFPA 704
1
1 0

???????????? MSDS


Butyl benzoate

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Butyl benzoate is a clear yellowish oily liquid or colorless viscous liquid. Insoluble in water,  poorly soluble in Propylene glycol, soluble in alcohol, 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. B.P. 250℃. Sp.Gr. 1.01.

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Butyl 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.

?? ??

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

??

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.

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Butyl benzoate is formed by the direct esterification of n-butyl alcohol with benzoic acid under azeotropic conditions .

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.

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