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
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.

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 :
 
recommendation for penten-1-yl cyclopentanone usage levels up to :
  1.0000 % in the fragrance concentrate.

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

(odor and/or flavor) blends with :
 allyl butyrate
 allyl hexanoate
 allyl octanoate
 allyl propionate
isoamyl 3-methyl thiopropionate
 amyl butyrate
alpha-amyl cinnamyl acetate
alpha-amyl cinnamyl alcohol
isoamyl isovalerate
isoamyl propionate
 benzyl acetone
 benzyl isobutyrate
 benzyl phenyl acetate
 benzyl propionate
 berry hexanoate
 berry pentadienoate
 buchu mercaptan
isobutyl hexanoate
isobutyl isobutyrate
 butyl valerate
 cassis pentanone
 citronellyl acetate
 cyclohexyl carboxylic acid
 dipropyl trisulfide
 ethyl (E,Z)-2,4-decadienoate
 ethyl 2-octenoate
 ethyl 3-octenoate
2-ethyl butyric acid
 ethyl nonanoate
 genet absolute
 geranyl methyl tiglate
 geranyl propionate
 grapefruit menthane
 heptanal dimethyl acetal
(Z)-3-hexen-1-yl phenyl acetate
 hexyl 2-methyl butyrate
 hexyl 2-methyl-3-pentenoate
 honeysuckle absolute
 hotrienol
2'-hydroxyacetophenone
 jambu oleoresin
 jasmin absolute
 jasmin absolute china
 jasmin absolute concrete india
 jasmin absolute concrete italy
 jasmin absolute pommade
 jasmin acetate
 jasmin concrete italy
 jasmin concrete morocco
 jasmin pyranol
 jasmin sambac absolute egypt
para-jasmone
 lychee mercaptan acetate
 maltyl isobutyrate
 mango thiol
1-para-menthene-8-thiol
3-mercapto-2-butanone
3-mercaptohexyl acetate
3-mercaptohexyl butyrate
3-mercaptohexyl hexanoate
 methyl 2-(methyl thio) butyrate
 methyl 2-methyl valerate
 methyl dihydrojasmonate
 methyl ketones
 methyl nonanoate
S-(methyl thio) hexanoate
 methyl thiomethyl butyrate
 nonyl acetate
beta-ocimene
delta-octalactone
2-octen-4-one
 passiflora acetate
1-penten-3-ol
 phenethyl acetate
1-phenethyl mercaptan
1-phenyl propyl butyrate
 plum crotonate
isopropyl 2-methyl butyrate
isopropyl formate
 propyl hexanoate
 propyl isobutyrate
 rose butanoate
 styralyl butyrate
gamma-terpinene
 terpinyl propionate
 tetrahydrofurfuryl butyrate
 tetrahydrofurfuryl propionate
S-tropical 2-thiobutyrate
 tropical 3-thiobutyrate
 tropical indene
 tropical ionone
 tropical oxathiane
 tropical thiazole
 tropical trithiane
isovaleraldehyde propylene glycol acetal
 viridiflorol
 wallflower absolute

(odor and/or flavor) used in :
 coconut
 floral
 hydrangea
 jasmin
 orchid
 tuberose tubereuse

natural occurrence in :
not found in nature



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