2-heptyl cyclopentanone
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Notes :
new car accord: 0.01 - dimethyl benzyl carbinyl acetate 0.01 - alpha-ionone 0.05 - heptyl cyclopentanone 0.01 - musk gx 0.05 - aldehyde C-14 0.01 - dihydroisojasmonate
 
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IUPAC name :2-heptylcyclopentan-1-one
InChI :InChI=1/C12H22O/c1-2-3-4-5-6-8-11-9-7-10-12(11)13/h11H,2-10H2,1H3
InChIKey :PJXHBTZLHITWFX-UHFFFAOYAX
SMILES :CCCCCCCC1CCCC1=O
cas number :137-03-1
(EINECS) number :205-273-1
beilstein number :2043445
molar refractivity :55.68 ± 0.3 cm3
parachor :484.2 ± 6.0 cm3
index of refraction :1.454 ± 0.02
surface tension :30.9 ± 3.0 dyne/cm
density :0.887 ± 0.06 g/cm3
polarizability :22.07 ± 0.5 10-24cm3
XlogP : 4.10
molecular weight : 182.3024800
formula :C12 H22 O
BioActivity Analysis :118781
NMR Predictor :Predict
 
 
export tariff code :2914.29.0000
fda reg :unspecified

Suppliers :
IFF :Fleuramone
Odor:  Concentrated jasmin flower note similar to that of cis jasmone. Lactonic, green.
John D. Walsh :Fleuramone
John D. Walsh :Frutalone
John D. Walsh :Heptone
Moellhausen :fleuramone
artifical kosher
Odor:  fruity, floral; slightly jasmone-like
Penta :2-N-heptyl cyclopentanone
Symrise :Projasmone P
Odor:  jasmin-like, floral and fruity with a peach-like undertone

organoleptics :
odor type :fruity
odor strength :medium
odor description :¹
at 100.00 %.  
fresh fruity peach isojasmone oily tropical
odor sample from :International Flavors & Fragrances Inc.
substantivity :80  Hour(s)

properties :
appearence :colorless to pale yellow clear liquid
assay : 96.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.87900 to 0.88700 @ 25.00 °C.
pounds per gallon - calc. : 7.314 to 7.381
specific gravity :0.88000 to 0.88800 @ 20.00 °C.
pounds per gallon - calc. : 7.331 to 7.398
refractive index :1.45000 to 1.45400 @ 20.00 °C.
flash point :> 212.00  °F.  TCC  ( > 100.00 °C. )
logP (o/w) : 3.88

safety :
most important hazard(s) :N - Dangerous for the environment.
  R 51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
S 02 - Keep out of the reach of children.
S 61 - Avoid release to the environment. Refer to special instructions/safety data sheet.
Oral Toxicity(LD50) :
  Oral-Rat    >5000.00  mg/kg

Dermal Toxicity(LD50) :
  Skin-Rabbit  5000.00  mg/kg

Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
 
recommendation for 2-heptyl cyclopentanone usage levels up to :
  4.0000 % in the fragrance concentrate.
recommendation for 2-heptyl cyclopentanone usage levels up to :
 not for flavor use.

safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
WISER :UN 3082
 
WGK Germany :3
 
 
 
 2-heptylcyclopentan-1-one
(EINECS) number :205-273-1
chemidplus :000137031
EPA Substance Registry Services :137-03-1
dtp/nci :78468

references :
 2-heptylcyclopentan-1-one
NIST Chemistry WebBook :1813117257
pubchem :151866

Cosmetics :
Cosmetic uses : perfuming agents
solvents

other :
reference : Luebke, William tgsc, (1988)¹
CosIng :cosmetic data
synonyms :
 alismone
 fleuramone
 frutalone
 heptafleur R
 heptone
2-N-heptyl cyclopentanone
2-heptyl-1-cyclopentanone
2-heptylcyclopentan-1-one
 projasmone P

soluble in :
 alcohol
 water, 29 mg/L @ 20C

insoluble in :
 water

stability :
 acid cleaner
 alcoholic lotion
 antiperspirant
 bleach
 deo stick
 detergent
 fabric softener
 hard surface cleaner
 non-discoloring
 shampoo
 soap

(odor and/or flavor) blends with :
isoamyl benzoate
alpha-amyl cinnamaldehyde
isoamyl salicylate
 amyris wood oil
 animal carbolactone
para-anisyl alcohol
 benzyl acetate
 benzyl alcohol
 benzyl benzoate
 benzyl cinnamate
 benzyl isoeugenol
 benzyl propionate
 benzyl salicylate
 bois de rose oil
isobutyl salicylate
 caraway seed oil
 cinnamyl alcohol
 citronellol
 citronellyl acetate
 citrus carbaldehyde
 clary sage oil
 clove bud oil
 clover nitrile
 coriander seed oil
 costus valerolactone
 coumarin
 cyclamen aldehyde
 cyclohexyl ethyl alcohol
gamma-decalactone
 dimethyl benzyl carbinol
 dimethyl benzyl carbinyl isobutyrate
 dodecanal
 ethyl laurate
 ethyl vanillin
isoeugenyl acetate
 floral pyranol
 gardenia oxide
 geraniol
 geranyl acetate
 heliotropin
 heliotropyl acetone
(Z)-3-hexen-1-yl benzoate
(Z)-3-hexen-1-yl propionate
(Z)-3-hexen-1-yl salicylate
alpha-hexyl cinnamaldehyde
 hyacinth ether
 ionones
 leerall
 linalool
laevo-linalool
 linalool oxide
 linalyl acetate
 methyl anthranilate
 methyl cinnamate
 methyl dihydrojasmonate
 methyl ionones
 mimosa absolute
 muguet carboxaldehyde
 musks
beta-naphthyl ethyl ether
 nerol
 nerolidol
 neryl acetate
 nonanal
 ocean propanal
 peony alcohol
 phenethyl acetate
 phenethyl alcohol
 phenethyl isobutyrate
 phenethyl phenyl acetate
 phenethyl propionate
 phenyl acetaldehyde dimethyl acetal
3-phenyl propionaldehyde
3-phenyl propyl alcohol
 raspberry ketone
 rhodinol
 rose butanoate
 santall
 strawberry glycidate 1
 styralyl acetate
alpha-terpineol
 tonka bean absolute
gamma-undecalactone
10-undecen-1-al
 vanilla absolute
 violet leaf absolute
 violet methyl carbonate
 watermelon ketone
 woody amylene
 ylang ylang oil

(odor and/or flavor) used in :
 amber
 floral
 green
 herbal
 honeysuckle chevrefeuille
 jasmin
 peach

natural occurrence in :
not found in nature



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