benzyl propionate
Notes :
Modifier for benzyl acetate. rose accord: 0.01 - dihydromyrcenol 0.05 - benzyl propionate 0.05 - linalyl acetate 0.05 - phenethyl alcohol 0.01 - aldehyde C-14 10% 0.20 - amyl cinnamaldehyde 0.01 - ma/hy shiff 0.05 - naphthyl ethyl ether 0.01 - aldehyde C-16 10% 0.05 - geraniol
 
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IUPAC name :phenylmethyl propanoate
InChI :InChI=1/C10H12O2/c1-2-10(11)12-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKey :VHOMAPWVLKRQAZ-UHFFFAOYAI
SMILES :CCC(=O)OCC1=CC=CC=C1
(EINECS) number :204-559-3
cas number :122-63-4
fema number :2150
coe number :413
jecfa number :842
fl. number :09.132
molar refractivity :46.84 ± 0.3 cm3
parachor :388.1 ± 4.0 cm3
index of refraction :1.501 ± 0.02
surface tension :35.7 ± 3.0 dyne/cm
density :1.034 ± 0.06 g/cm3
polarizability :18.56 ± 0.5 10-24cm3
xlogp : 2.20
molecular weight : 164.2010800
formula :C10 H12 O2
 
 
export tariff code :2915.50.3000
fda reg :unspecified
 

Suppliers :
Cargill - Alfrebro :BENZYL PROPIONATE
natural, Kosher
Fleurchem :benzyl propionate
natural
International Flavors & Fragrances :Benzyl Propionate
≥98%
Sigma-Aldrich-SAFC :Benzyl propionate
≥98%, FCC, Kosher
Sigma-Aldrich-SAFC :Benzyl propionate
≥98%, natural, FCC, Kosher
Symrise :Benzyl propionate

organoleptics :
odor type :fruity
odor strength :medium
odor description :
at 100.00 %.  
sweet fruity apple banana jam balsam floral jasmin
substantivity :8 hour(s) at 100.00 %

properties :
appearence :colorless clear oily liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :Yes
specific gravity :1.02700 to 1.03500 @ 25.00 °C.
pounds per gallon - calc. : 8.546 to 8.612
specific gravity :1.02800 to 1.03600 @ 20.00 °C.
pounds per gallon - calc. : 8.564 to 8.631
refractive index :1.49500 to 1.49900 @ 20.00 °C.
boiling point : 222.00 °C. @ 760.00 mm Hg
acid value : 1.00  max.  KOH/g
logp : 2.57
shelf life : 24.00 month(s) or longer if stored properly.
storage :store in cool, dry place in tightly sealed containers, protected from heat and light.

safety :
most important hazard(s) : None - None
Oral Toxicity(LD50) : Oral-Rat    3300.00  mg/kg    (Moreno, 1973u)
Dermal Toxicity(LD50) : Skin-Rabbit  >5.00  gm/kg  FCTXAV  13,723,1975
Maximised Survey-derived Daily Intakes (MSDI-EU) :41.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :99.00 (μg/capita/day)
flash point ( Deg. F. ) :> 200.00  °F.  TCC  ( > 93.33 °C. )
recommendation for benzyl propionate usage levels up to :
  10.0000 % in the fragrance concentrate.
recommendation for benzyl propionate usage levels up to :
  150.0000 ppm in the flavor.

safety links :
msds :msds
 
 
(EINECS) number :204-559-3
RTECS :UA2537603 for 122-63-4
chemidplus :000122634
EPA Substance Registry Services :122-63-4
NLM Chemical Carcinogenesis Research Information System :122-63-4
NLM Developmental and Reproductive Toxicity :122-63-4
NLM Env. Mutagen Info. Center :122-63-4
NLM GENetic TOXicology :122-63-4
dtp/nci :46100
EPI System :view

other :
 C of A

references :
jecfa number :842
fl. number :09.132
pubchem :173253
NIST Chemistry WebBook :3844827305
synonyms :
 benzyl propanoate
 benzyl propionate
 phenyl methyl propanoate
 phenyl methyl propionate
 propanoic acid phenyl methyl ester
 propionic acid benzyl ester

soluble in :
 ethyl alcohol, 1:11 60% alcohol
 ethyl alcohol, 1:4 70% alcohol
 ethyl alcohol, 3 vol. of 70% alcohol
 fixed oils
 fixed oils, most fixed oils
 paraffin oil

insoluble in :
 water
 glycerin

stability :
 alcoholic lotion
 antiperspirant
 deo stick
 detergent perborate
 fabric softener
 hair spray
 shampoo
 soap
 stable in most media

(odor and/or flavor) blends with :
 acetyl butyryl
1-acetyl cyclohexyl acetate
 allyl 2-furoate
 allyl isovalerate
 allyl salicylate
 amyl acetate
isoamyl acetate
isoamyl benzoate
 amyl butyrate
isoamyl butyrate
alpha-amyl cinnamaldehyde
alpha-amyl cinnamyl acetate
isoamyl formate
 amyl heptanoate
isoamyl hexanoate
isoamyl isovalerate
isoamyl propionate
isoamyl salicylate
para-anisyl acetate
para-anisyl butyrate
para-anisyl formate
 apple crotonate
 apricot isobutyrate
 benzaldehyde / methyl anthranilate schiff's base
 benzoin resinoid
 benzyl acetate
 benzyl acetone
 benzyl butyrate
 benzyl cinnamate
3-benzyl-4-heptanone
 berry hexanoate
 blood orange oil
 bois de rose oil
 butyl acetate
 butyl anthranilate
isobutyl anthranilate
 butyl formate
isobutyl furyl propionate
2-butyl thiophene
 cassia bark oil
 chamomile isobutyrate
 chamomile propionate
 cinnamyl formate
 cinnamyl propionate
 citral
 citronellyl acetate
 citronellyl butyrate
 citronellyl formate
 citronellyl hexanoate
 citronellyl isobutyrate
 citronellyl propionate
(E)-citronellyl tiglate
 clove bud oil
 coranol
 coriander seed oil
 cubeb oil
 cyclohexyl formate
 cyclohexyl propionate
beta-damascenone
(E)-beta-damascone
(Z)-beta-damascone
beta-damascone
2-decalinyl acetate
 diethyl maleate
 diethyl sebacate
 dihydrojasmone
 dihydrolinalool
 dimethyl benzyl carbinyl butyrate
alpha,alpha-dimethyl benzyl isobutyrate
S-(2,5-dimethyl-3-furyl) ethane thioate
3,6-dimethyl-3-octanol
 ethyl 2-furoate
 ethyl 4-phenyl butyrate
2-ethyl butyl acetate
 ethyl cinnamate
 ethyl heptanoate
 ethyl laurate
 ethyl levulinate
 ethyl linalool
 ethyl linalyl acetal
 ethyl linalyl acetate
 ethyl linalyl ether
4-ethyl octanoic acid
 ethyl vanillin
 floral pyranol
 furfuryl acetate
 gardenia oxide
 geranyl acetate
 green acetate
 guaiyl butyrate
 heliotropyl acetone
 heptyl formate
 heptyl isobutyrate
2-hexen-1-al
(Z)-3-hexen-1-yl acetate
2-hexen-1-yl cyclopentanyl acetate
(Z)-3-hexen-1-yl isovalerate
(Z)-3-hexen-1-yl pyruvate
 hexyl 2-methyl butyrate
alpha-hexyl cinnamaldehyde
 hexyl cinnamate
 hexyl formate
 ho leaf oil
 ho wood oil
 jasmin acetoacetate
 lavender absolute
 linalool
dextro-linalool
laevo-linalool
 linalool oxide
 linalyl anthranilate
 linalyl butyrate
 melon acetal
 melon heptenal
 melon nonenoate
 methoxycitronellal
 methyl (Z)-3-hexenoate
 methyl 4-methyl valerate
 methyl 4-phenyl butyrate
 methyl alpha-ionone
 methyl decanoate
 methyl dihydrojasmonate
 methyl formate
alpha-isomethyl ionone (90% min.)
 methyl ionones
 methyl ionyl acetate
 methyl isobutyrate
1-methyl thio-2-propanone
2-methyl-2-pentenoic acid
(E)-7-methyl-3-octen-2-one
 mimosa absolute
 nerolidol
 neryl acetate
 neryl propionate
3-nonanon-1-yl acetate
(Z)-6-nonen-1-al
(Z)-6-nonen-1-yl acetate
 ocean propanal
(Z)-3-octen-1-ol
(Z)-5-octen-1-ol
 octyl benzoate
 octyl phenyl acetate
 orris absolute
 orris root concrete
 osmanthus absolute
 petitgrain mandarin oil
 petitgrain oil
 phenethyl propionate
1-phenyl propyl butyrate
2-phenyl propyl isobutyrate
3-phenyl propyl isobutyrate
3-phenyl propyl isovalerate
 phenyl salicylate
4-phenyl-3-buten-2-ol
2-phenyl-4-pentenal
 plum crotonate
 prenyl acetate
 propyl 2-furan acrylate
isopropyl acetate
isopropyl benzoate
isopropyl octanoate
 propyl salicylate
 raspberry ketone acetate
 rose butanoate
 rose undecene
 santall
 spicy acetoacetate
 strawberry glycidate 1
 styralyl acetate
 terpinyl butyrate
 terpinyl valerate
 tetrahydroionyl acetate
 tetrahydrolinalool
para-tolyl aldehyde
4-(para-tolyl)-2-butanone
 tropical ionone
gamma-undecalactone
 vanillin
 violet leaf absolute
 virginione
 watermelon ketone
 ylang ylang oil

(odor and/or flavor) used in :
 almond
 apple
 apple blossom
 apricot
 banana
 bellodgia
 bluebell
 bouquet
 bubblegum
 cherry
 coconut
 cologne
 floral
 ginger white ginger
 grape
 hancornia
 heather
 herbal
 hibiscus
 jasmin
 joy
 lotus
 new car
 oriental
 peach
 pineapple
 plum
 raspberry
 rose
 rum
 strawberry
 tide
 tuberose tubereuse
 tutti frutti
 woodruff asperula

natural occurrence in :
data pagechampaca concrete @ trace%
data pagefeatherfew leaf oil @ trace%
melon
plum



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