isojasmone
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IUPAC name :2-hexylcyclopent-2-en-1-one
InChI :InChI=1/C11H18O/c1-2-3-4-5-7-10-8-6-9-11(10)12/h8H,2-7,9H2,1H3
InChIKey :VGECIEOJXLMWGO-UHFFFAOYAD
SMILES :CCCCCCC1=CCCC1=O
cas number :95-41-0
(EINECS) number :202-417-5
beilstein number :1931570
fema number :3552
coe number :167
fl. number :07.033
molar refractivity :50.64 ± 0.3 cm3
parachor :430.0 ± 6.0 cm3
index of refraction :1.474 ± 0.02
surface tension :32.5 ± 3.0 dyne/cm
density :0.923 ± 0.06 g/cm3
polarizability :20.07 ± 0.5 10-24cm3
XlogP : 3.10
molecular weight : 166.2600200 (IUPAC)
formula :C11 H18 O
BioActivity Analysis :118775
NMR Predictor :Predict
 
 
IUPAC name :2-methyl-3-[(E)-pent-2-enyl]cyclopent-2-en-1-one
InChI :InChI=1/C11H16O/c1-3-4-5-6-10-7-8-11(12)9(10)2/h4-5H,3,6-8H2,1-2H3/b5-4+
InChIKey :GVONPEQEUQYVNH-SNAWJCMRBN
SMILES :CC\C=C\CC1=C(C(=O)CC1)C
cas number :11050-62-7
(EINECS) number :234-273-4
fema number :3552
jecfa number :1115
fl. number :07.221
molar refractivity :50.77 ± 0.3 cm3
parachor :413.9 ± 6.0 cm3
index of refraction :1.491 ± 0.02
surface tension :31.1 ± 3.0 dyne/cm
density :0.937 ± 0.06 g/cm3
polarizability :20.12 ± 0.5 10-24cm3
XlogP : 2.30
molecular weight : 164.2441400 (IUPAC)
formula :C11 H16 O
NMR Predictor :Predict
 
 
IUPAC name :3-pentylcyclohex-2-en-1-one
InChI :InChI=1/C11H18O/c1-2-3-4-6-10-7-5-8-11(12)9-10/h9H,2-8H2,1H3
InChIKey :UNXYWNYOLBUJRO-UHFFFAOYAI
SMILES :CCCCCC1=CC(=O)CCC1
cas number :25435-63-6
(EINECS) number :246-978-4
molar refractivity :50.62 ± 0.3 cm3
parachor :430.0 ± 6.0 cm3
index of refraction :1.470 ± 0.02
surface tension :31.6 ± 3.0 dyne/cm
density :0.916 ± 0.06 g/cm3
polarizability :20.06 ± 0.5 10-24cm3
XlogP : 3.00
molecular weight : 166.2600200 (IUPAC)
formula :C11 H18 O
NMR Predictor :Predict
 
 
export tariff code :2914.29.0000
fda reg :172.515
Suppliers :
Advanced Biotech :isojasmone
80% min. natural
Odor:  Floral
Bedoukian Research :ISOJASMONE
≥90.0% (sum of isomers), Kosher
Odor:  A highly purified isojasmone
Used in jasmine fragrances.
Berje :isoJasmone
Frutarom :Isojasmone
≥97.00% (sum of isomers), Kosher
Odor:  Fresh, Jasmine, Sweet, Woody
Givaudan :Isojasmone B 11
Odor:  Floral, Warm, Jasmine, Herbaceous
With its powerful, natural effect, Isojasmone B 11 is widely used in jasmine and floral bouquets. It brings natural volume to top and core notes. Isojasmone B 11 also blends well with quinolines in chypre accords.
John D. Walsh :isoJasmone T
John D. Walsh :isoJasmone
Odor:  sweet waxy woody jasmin celery fresh dry
Moellhausen :isojasmone
nature identical kosher
Odor:  natural floral, jasmin-like.
Penta :isojasmone
PFW :ISOJASMONE HQ
≥94%
Odor:  has a very sweet jasmin-hay odor with a natural connotation, great strength and good diffusion.
PFW :ISOJASMONE T™
≥90%
Odor:  has a sweet herbal-floral odor with a natural connotation, great strength and good diffusion.
Vigon :Isojasmone B-11
Odor:  GREEN, JASMIN, HERBACEOUS, CELERY ODOR.
Vigon :ISOJASMONE PURE
Odor:  JASMIN ODOR WITH LACTONIC CHERRY-LIKE ASPECTS.
organoleptics :
odor type :floral
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description:
at 10.00 % in dipropylene glycol.  		sweet floral herbal woody jasmin celery fresh dry waxy
Luebke, William tgsc, (1985)
odor sample from :Berje Inc.
taste description:
green fruity floral waxy woody
substantivity :32  Hour(s)
properties :
appearence :colorless to pale yellow clear liquid
assay : 95.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :0.91700 to 0.92400 @ 25.00 °C.
pounds per gallon - calc. : 7.630 to 7.689
refractive index :1.47200 to 1.47700 @ 20.00 °C.
boiling point : 144.00 °C. @ 10.00 mm Hg
boiling point : 279.00 to 281.00 °C. @ 760.00 mm Hg
acid value : 2.00  max.  KOH/g
vapor pressure :0.01000 mm/Hg @ 20.00 °C.
vapor density :5.7 ( Air = 1 )
flash point :> 212.00  °F.  TCC  ( > 100.00 °C. )
logP (o/w) : 3.19
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

intravenous-Mouse    320.00  mg/kg

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

Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavor and fragrance agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :0.37 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :0.01 (μg/capita/day)
Structure Class :II
 
recommendation for isojasmone fragrance usage levels up to :
  3.0000 % in the fragrance concentrate.
recommendation for isojasmone flavor usage levels up to :
  2.5000 ppm in the flavor.
safety references :
European Food Safety Athority(efsa) :Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :2
 
 
 
 
2-hexylcyclopent-2-en-1-one
(EINECS) number :202-417-5
chemidplus :000095410
EPA Substance Registry Services :95-41-0
dtp/nci :78462
 
 
 
2-methyl-3-[(E)-pent-2-enyl]cyclopent-2-en-1-one
(EINECS) number :234-273-4
chemidplus :011050627
EPA Substance Registry Services :11050-62-7
 
 
 
3-pentylcyclohex-2-en-1-one
(EINECS) number :246-978-4
chemidplus :025435636
EPA Substance Registry Services :25435-63-6
references :
 
2-hexylcyclopent-2-en-1-one
fl. number :07.033
pubchem :208860
 
2-methyl-3-[(E)-pent-2-enyl]cyclopent-2-en-1-one
fl. number :07.221
jecfa number :1115
pubchem :197800
 
3-pentylcyclohex-2-en-1-one
pubchem :694176
Cosmetics :
Cosmetic uses : perfuming agents
other :
CosIng :cosmetic data
RIFM :listed
FMA :listed
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
2-hexyl cyclopent-2-enone
 hexyl cyclopentenone
2-hexyl-2-cyclopenten-1-one
2-N-hexyl-2-cyclopenten-1-one
2-hexyl-2-cyclopenten-1-one and 2-hexylidene cyclopentanone
2-hexylcyclopent-2-en-1-one
2-hexylidene cyclopentanone and 2-hexyl-2-cyclopenten-1-one
2-methyl-3-pent-2-enyl cyclopent-2-enone and isomeric ketones
soluble in :
 alcohol
insoluble in :
 water
stability :
  hand cream, good
 cream rinse, moderate
 deo pump spray, good
 detergent powder, excellent
 fabric softener, moderate
 hair spray
 liquid bleach, unstable
 liquid detergent, excellent
 non-discoloring in most media
 shampoo, moderate
 soap, moderate
potential blenders :    note
 algae absoluteFR
 allyl amyl glycolateFR
 amber carbinolFR
isoamyl benzoateFL/FR
alpha-amyl cinnamaldehydeFL/FR
alpha-amyl cinnamyl acetateFL/FR
alpha-amyl cinnamyl alcoholFL/FR
isoamyl salicylateFL/FR
 amyris wood oilFL/FR
para-anisyl acetateFL/FR
para-anisyl alcoholFL/FR
 beeswax absoluteFL/FR
 benzyl acetateFL/FR
 benzyl acetoneFL/FR
 benzyl alcoholFL/FR
 benzyl benzoateFL/FR
 benzyl cinnamateFL/FR
 benzyl phenyl acetateFL/FR
 benzyl propionateFL/FR
 benzyl salicylateFL/FR
 bergamot oilFL/FR
 bois de rose oilFL/FR
isobutyl benzoateFL/FR
isobutyl benzyl carbinolFL/FR
isobutyl cinnamateFL/FR
isobutyl salicylateFL/FR
 butyl tiglateFL/FR
 caraway seed oilFL/FR
 carrot seed oilFL/FR
 carrot seed oil spainFR
 cedarwood oils 
 chamomile isobutyrateFR
 cinnamyl alcoholFL/FR
 citronellolFL/FR
 citronellyl acetateFL/FR
 clary sage oilFL/FR
 clove bud oilFL/FR
 clover nitrileFR
 coconut absoluteFL/FR
 coriander seed oilFL/FR
 costus valerolactoneFR
para-cresyl caprylateFL/FR
 currant bud absolute blackFL/FR
 cyclamen aldehydeFL/FR
 cyclohexyl ethyl alcoholFL/FR
alpha-damasconeFL/FR
beta-damasconeFL/FR
gamma-decalactoneFL/FR
2-decalinyl acetateFR
 dimethyl anthranilateFL/FR
 dimethyl benzyl carbinyl acetateFL/FR
 dimethyl benzyl carbinyl butyrateFL/FR
 dimethyl hydroquinoneFL/FR
2,4-dimethyl-3-cyclohexene-1-methanolFR
 diphenyl oxideFL/FR
 ethyl cinnamateFL/FR
 ethyl linaloolFR
 ethyl linalyl acetalFR
 ethyl phenyl acetateFL/FR
 eugenolFL/FR
 fir balsam absoluteFR
 floral pyranolFR
 gardenia oxideFR
 geraniolFL/FR
 geranyl acetateFL/FR
(E)-geranyl acetoneFL/FR
 grapefruit pentanolFR
 green acetateFR
 heliotropinFL/FR
 heliotropyl diethyl acetalFR
gamma-heptalactoneFL/FR
 heptyl formateFL/FR
 herbal pyranFR
gamma-hexalactoneFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl benzoateFL/FR
(Z)-3-hexen-1-yl butyrateFL/FR
(Z)-3-hexen-1-yl salicylateFL/FR
(Z)-3-hexen-1-yl tiglateFL/FR
alpha-hexyl cinnamaldehydeFL/FR
 hexyl tiglateFL/FR
 ho leaf oilFR
 honeysuckle absoluteFR
 hyacinth etherFR
 hydroxycitronellalFL/FR
 indoleFL/FR
 ionones 
 jasmin absoluteFL/FR
 jasmin absolute pommadeFL/FR
 jasmin acetateFL/FR
 jasmin pyranolFR
para-jasmoneFR
 karo karounde absoluteFR
 lavandin oilFL/FR
 lavender absoluteFL/FR
 leerallFR
 linaloolFL/FR
laevo-linaloolFL/FR
 linalool oxideFL/FR
 linalyl acetateFL/FR
 methyl anthranilateFL/FR
 methyl cinnamateFL/FR
 methyl dihydrojasmonateFL/FR
 methyl ionones 
 methyl isoeugenolFL/FR
 mimosa absoluteFL/FR
 muguet carboxaldehydeFR
 musks 
 myrtle oilFL/FR
beta-naphthyl ethyl etherFL/FR
 nerolFL/FR
 nerolidolFL/FR
 neryl acetateFL/FR
gamma-nonalactoneFL/FR
 nonanalFL/FR
 oakmoss absoluteFL/FR
 ocean propanalFL/FR
(Z)-beta-ocimeneFL/FR
 orris pyridineFR
 patchouli ethanoneFR
 penten-1-yl cyclopentanoneFR
 peony alcoholFR
 phenethyl alcoholFL/FR
 phenethyl phenyl acetateFL/FR
 phenyl acetaldehyde dimethyl acetalFL/FR
3-phenyl propionaldehydeFL/FR
3-phenyl propyl alcoholFL/FR
1-phenyl propyl butyrateFL/FR
isophytolFL/FR
 prenyl salicylateFL/FR
 raspberry ketoneFL/FR
 raspberry ketone acetateFL/FR
 raspberry ketone methyl etherFL/FR
 rhodinolFL/FR
 rose butanoateFL/FR
 santallFR
 strawberry furanoneFL/FR
 strawberry glycidate 1FL/FR
 styralyl butyrateFL/FR
alpha-terpineolFL/FR
 terpinyl isobutyrateFL/FR
 tetrahydrolinaloolFL/FR
 tobacco dodecaneFR
 tonka bean absoluteFR
gamma-undecalactoneFL/FR
10-undecen-1-alFL/FR
 vanilla absoluteFL/FR
 verymossFR
 violet leaf absoluteFL/FR
 violet methyl carbonateFR
 wallflower absoluteFR
 woody acetateFR
 woody amyleneFR
 ylang ylang oilFL/FR
potential uses :
 acacia
 amber
 angel
 apricot
 bellodgia
 berry
 cassie acacia farnesiana
 chypre
 clove
 crabapple blossom
 elder blossom
 fetes
 floral
 florida breeze
 frangipanni plumeria
 gardenia
 green
 honeysuckle chevrefeuille
 jasmin
 jonquil narcissus jonquilla
 lilac lilas syringa
 lily
 linden blossom limeflower tilleul
 mint
 muguet lily of the valley
 neroli
 orange blossom fleur d'oranger
 oriental
 peach
 pineapple
 raspberry
 rose red rose
 rose white rose
 spice
 strawberry
 sweet pea pois de senteur
 tea
 tropical
 tuberose tubereuse
 wallflower giroflee
 wistaria wisteria glycine
 woody
 ylang ylang cananga
natural occurrence in :    note
 not found in nature  

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