penten-1-yl cyclopentanone
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IUPAC name :2-(3-methylbut-2-enyl)cyclopentan-1-one
InChI :InChI=1/C10H16O/c1-8(2)6-7-9-4-3-5-10(9)11/h6,9H,3-5,7H2,1-2H3
InChIKey :NKESYZVOSBUNKQ-UHFFFAOYAK
SMILES :CC(=CCC1CCCC1=O)C
cas number :2520-60-7
(EINECS) number :219-748-6
molar refractivity :46.31 ± 0.3 cm3
parachor :387.9 ± 6.0 cm3
index of refraction :1.470 ± 0.02
surface tension :30.0 ± 3.0 dyne/cm
density :0.918 ± 0.06 g/cm3
polarizability :18.36 ± 0.5 10-24cm3
XlogP : 2.00
molecular weight : 152.2334400 (IUPAC)
formula :C10 H16 O
NMR Predictor :Predict
 
 
export tariff code :2914.29.0000
fda reg :unspecified
Suppliers :
Bedoukian Research :2-PRENYLCYCLOPENTANONE
≥95.0%, Kosher
Odor:  A very powerful floral, jasmine topnote
Used in jasmine and tuberose topnotes.
organoleptics :
odor type :floral
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description:
at 10.00 % in dipropylene glycol.  		powerful light floral jasmin
properties :
appearence :colorless clear liquid
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.90800 to 0.92800 @ 25.00 °C.
pounds per gallon - calc. : 7.555 to 7.722
refractive index :1.45800 to 1.47800 @ 20.00 °C.
boiling point : 60.00 °C. @ 2.00 mm Hg
boiling point : 218.00 to 219.00 °C. @ 760.00 mm Hg
flash point : 165.00  °F.  TCC  ( 73.89 °C. )
logP (o/w) : 2.43
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) : 
  Oral-Rat    >5000.00  mg/kg

Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :fragrance agents
 
recommendation for penten-1-yl cyclopentanone fragrance usage levels up to :
  1.0000 % in the fragrance concentrate.
recommendation for penten-1-yl cyclopentanone flavor 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-(3-methylbut-2-enyl)cyclopentan-1-one
(EINECS) number :219-748-6
chemidplus :002520607
EPA/NOAA CAMEO :hazardous materials
EPA Substance Registry Services :2520-60-7
references :
 
2-(3-methylbut-2-enyl)cyclopentan-1-one
pubchem :680321
other :
synonyms :
2-(3-methyl but-2-enyl) cyclopentan-1-one
2-(3-methylbut-2-enyl)cyclopentan-1-one
 pentenyl cyclopentanone
 prenyl cyclopentanone
soluble in :
 alcohol
insoluble in :
 water
potential blenders :    note
 allyl butyrateFL/FR
 allyl hexanoateFL/FR
 allyl octanoateFL/FR
 allyl propionateFL/FR
isoamyl 3-methyl thiopropionateFL
 amyl butyrateFL/FR
alpha-amyl cinnamyl acetateFL/FR
alpha-amyl cinnamyl alcoholFL/FR
isoamyl isovalerateFL/FR
isoamyl propionateFL/FR
 benzyl acetoneFL/FR
 benzyl isobutyrateFL/FR
 benzyl phenyl acetateFL/FR
 benzyl propionateFL/FR
 berry hexanoateFR
 berry pentadienoateFL/FR
 buchu mercaptanFL/FR
isobutyl hexanoateFL/FR
isobutyl isobutyrateFL/FR
 butyl valerateFL/FR
 cassis pentanoneFL/FR
 citronellyl acetateFL/FR
 cyclohexyl carboxylic acidFL/FR
 dipropyl trisulfideFL
 ethyl (E,Z)-2,4-decadienoateFL/FR
 ethyl 2-octenoateFL/FR
 ethyl 3-octenoateFL
2-ethyl butyric acidFL/FR
 ethyl nonanoateFL/FR
 genet absoluteFL/FR
 geranyl methyl tiglate 
 geranyl propionateFL/FR
 grapefruit menthaneFL/FR
 heptanal dimethyl acetalFL/FR
(Z)-3-hexen-1-yl phenyl acetateFL/FR
 hexyl 2-methyl butyrateFL/FR
 hexyl 2-methyl-3-pentenoateFL/FR
 honeysuckle absoluteFR
 hotrienolFL/FR
2'-hydroxyacetophenoneFL/FR
 jambu oleoresinFL
 jasmin absoluteFL/FR
 jasmin absolute chinaFL/FR
 jasmin absolute concrete indiaFL/FR
 jasmin absolute concrete italyFL/FR
 jasmin absolute pommadeFL/FR
 jasmin acetateFL/FR
 jasmin concrete italyFR
 jasmin concrete moroccoFR
 jasmin pyranolFR
 jasmin sambac absolute egyptFL/FR
para-jasmoneFR
 lychee mercaptan acetateFL/FR
 maltyl isobutyrateFL/FR
 mango thiolFL/FR
1-para-menthene-8-thiolFL/FR
3-mercapto-2-butanoneFL
3-mercaptohexyl acetateFL
3-mercaptohexyl butyrateFL
3-mercaptohexyl hexanoateFL
 methyl 2-(methyl thio) butyrateFL
 methyl 2-methyl valerateFL/FR
 methyl dihydrojasmonateFL/FR
 methyl ketonesFL
 methyl nonanoateFL
S-(methyl thio) hexanoateFL
 methyl thiomethyl butyrateFL
 nonyl acetateFL/FR
beta-ocimeneFL/FR
delta-octalactoneFL/FR
2-octen-4-oneFL/FR
 passiflora acetateFL/FR
1-penten-3-olFL/FR
 phenethyl acetateFL/FR
1-phenethyl mercaptanFL
1-phenyl propyl butyrateFL/FR
 plum crotonateFR
isopropyl 2-methyl butyrateFL/FR
isopropyl formateFL/FR
 propyl hexanoateFL/FR
 propyl isobutyrateFL/FR
 rose butanoateFL/FR
 styralyl butyrateFL/FR
gamma-terpineneFL/FR
 terpinyl propionateFL/FR
 tetrahydrofurfuryl butyrateFL/FR
 tetrahydrofurfuryl propionateFL
S-tropical 2-thiobutyrateFL
 tropical 3-thiobutyrateFL/FR
 tropical indeneFR
 tropical iononeFL/FR
 tropical oxathianeFL/FR
 tropical thiazoleFL/FR
 tropical trithianeFL/FR
isovaleraldehyde propylene glycol acetalFL/FR
 viridiflorolFL/FR
 wallflower absoluteFR
potential uses :
 coconut
 floral
 hydrangea
 jasmin
 orchid
 tuberose tubereuse
natural occurrence in :    note
 not found in nature  

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