phenethyl pivalate
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Notes :
Floral enhancer.
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :2-phenylethyl 2,2-dimethylpropanoate
InChI :InChI=1/C13H18O2/c1-13(2,3)12(14)15-10-9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3
InChIKey :DPVYDTACPLLHCF-UHFFFAOYAH
SMILES :CC(C)(C)C(=O)OCCC1=CC=CC=C1
cas number :67662-96-8
(EINECS) number :266-841-2
molar refractivity :60.70 ± 0.3 cm3
parachor :502.6 ± 4.0 cm3
index of refraction :1.494 ± 0.02
surface tension :33.8 ± 3.0 dyne/cm
density :0.990 ± 0.06 g/cm3
polarizability :24.06 ± 0.5 10-24cm3
XlogP : 2.90
molecular weight : 206.2808200 (IUPAC)
formula :C13 H18 O2
NMR Predictor :Predict
 
 
export tariff code :2915.60.9000
fda reg :unspecified

Suppliers :
Berje :Phenyl Ethyl Pivilate
Grau Aromatics :PHENYLETHYL-PIVALATE
Inoue :PHENETHYL PIVALATE
Penta :centifolyl
Penta :phenyl ethyl pivalate
Vigon :Centifolyl Phenyl Ethyl Pivalate
Odor:  ROSY, SPICY, TENACIOUS
Vigon :PIVAROSE
same as Centifolyl
Odor:  FLORAL, TEA-LIKE, ROSE

organoleptics :
odor type :floral
odor strength :medium
odor description :¹
at 100.00 %.  
rose spice rhodinol geranium blueberry
odor sample from :Nickstadt Moeller, Inc.
substantivity :40  Hour(s)

properties :
appearence :colorless clear liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.96800 to 0.97500 @ 25.00 °C.
pounds per gallon - calc. : 8.055 to 8.113
refractive index :1.48000 to 1.48200 @ 20.00 °C.
boiling point : 100.00 °C. @ 5.00 mm Hg
flash point :> 200.00  °F.  TCC  ( > 93.33 °C. )
logP (o/w) : 3.53

safety :
most important hazard(s) :Xi - Irritant
  R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
 
recommendation for phenethyl pivalate usage levels up to :
  8.0000 % in the fragrance concentrate.
recommendation for phenethyl pivalate usage levels up to :
 not for flavor use.

safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :2
 
 
 
 2-phenylethyl 2,2-dimethylpropanoate
(EINECS) number :266-841-2
chemidplus :067662968
EPA Substance Registry Services :67662-96-8

references :
 2-phenylethyl 2,2-dimethylpropanoate
NIST Chemistry WebBook :67662968
pubchem :682953

Cosmetics :
Cosmetic uses : perfuming agents

other :
reference : Luebke, William tgsc, (1985)¹
CosIng :cosmetic data
synonyms :
 centifolyl
2,3-dimethyl propanoic acid 2-phenethyl ester
2,2-dimethyl propanoic acid 2-phenyl ethyl ester
 phenethyl trimethyl acetate
2-phenyl ethyl 2,2-dimethyl propanoate
 phenyl ethyl pivalate
 phenyl ethyl trimethyl acetate
2-phenylethyl 2,2-dimethylpropanoate
 pivarose

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) blends with :
1-acetyl cyclohexyl acetate
isoamyl 2-methyl butyrate
 benzophenone
 biphenyl
 butyl angelate
laevo-citronellol
 citronellyl cinnamate
 citronellyl isobutyrate
(E)-citronellyl tiglate
 cocoa butenal
 cocoa pentenal
 cyclohexyl propanol
(E,Z)-2,4-decadien-1-al
(Z)-4-decen-1-yl acetate
 decyl formate
 dibutyl sulfide
isodihydrolavandulal
 dihydrorose oxide
 diphenyl methane
 diphenyl oxide
 ethyl phenyl acetate
isoeugenyl phenyl acetate
 floral pyran
 geranium cyclohexane
 geranium dihydropyran
 geranium nitrile
 geranium oil
 geranium oil africa
 geranium oil egypt
 geranium pyran
 geranium rose-scented oil (pelargonium spp.) cuba
 geranium thiazole
 geranyl formate
 geranyl hexanoate
 geranyl isovalerate
 geranyl nonanoate
 geranyl tiglate
 guaiacyl phenyl acetate
(-)-guaiol
 guaiyl acetate
 honeysuckle
 honeysuckle absolute
 hyacinth acetal
 leather cyclohexanol
ortho-methoxybenzyl ethyl ether
 methyl citronellate
 methyl phenyl acetate
4-methyl-4-phenyl pentanone
 musk acetate
3-octen-2-one
 peony acetonitrile
 phenethyl isobutyrate
 phenethyl propionate
 phenyl acetaldehyde digeranyl acetal
3-phenyl propyl formate
isopropyl phenyl acetate
 raspberry ketone acetate
 rhodinyl acetate
 rhodinyl isobutyrate
 rhodinyl isovalerate
 rhodinyl phenyl acetate
 rhodinyl propionate
 rose absolute morocco
 rose carbonate
 rose concrete bulgaria
 rose oil morocco
(Z)-rose oxide
laevo-rose oxide
 strawberry glycidate 1
 tea rose

(odor and/or flavor) used in :
 antiperspirants
 blueberry
 carnation dianthus oeillet
 clean
 floral
 geranium
 hyacinth jacinthe
 jasmin
 lilac lilas syringa
 rose
 rose red rose
 spice

natural occurrence in :
not found in nature



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