gamma-undecalactone (aldehyde C-14)
Notes :
musk enhancer - aldehyde C-14 and musk gx. waxy floral fruity accord: 0.05 - leerall 0.01 - aldehyde C-14 0.05 - aldehyde C18 10% 0.01 - musk gx 0.01 - raspberry ketone 10% 0.01 - aldehyde C-16 10% rose accord: 0.01 - dihydromyrcenol 0.05 - benzyl propionate 0.05 - linalyl acetate 0.05 - phenethyl alcohol 0.01 - aldehyde C-14 10% 0.20 - amyl cinnamaldehyde 0.01 - ma/hy shiff 0.05 - naphthyl ethyl ether 0.01 - aldehyde C-16 10% 0.05 - geraniol 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 :5-heptyloxolan-2-one
InChI :InChI=1/C11H20O2/c1-2-3-4-5-6-7-10-8-9-11(12)13-10/h10H,2-9H2,1H3
InChIKey :PHXATPHONSXBIL-UHFFFAOYAL
SMILES :CCCCCCCC1CCC(=O)O1
(EINECS) number :203-225-4
cas number :104-67-6
beilstein number :0081943
fema number :3091
coe number :179
jecfa number :233
fl. number :10.002
molar refractivity :52.67 ± 0.3 cm3
parachor :464.5 ± 6.0 cm3
index of refraction :1.449 ± 0.02
surface tension :31.3 ± 3.0 dyne/cm
density :0.938 ± 0.06 g/cm3
polarizability :20.88 ± 0.5 10-24cm3
xlogp : 3.90
molecular weight : 184.2753000
formula :C11 H20 O2
BioActivity Analysis :99566
 
 
IUPAC name :(5S)-5-heptyloxolan-2-one
InChI :InChI=1/C11H20O2/c1-2-3-4-5-6-7-10-8-9-11(12)13-10/h10H,2-9H2,1H3/t10-/m0/s1
InChIKey :PHXATPHONSXBIL-JTQLQIEIBD
SMILES :CCCCCCC[C@H]1CCC(=O)O1
cas number :104-67-6
molar refractivity :52.67 ± 0.3 cm3
parachor :464.5 ± 6.0 cm3
index of refraction :1.449 ± 0.02
surface tension :31.3 ± 3.0 dyne/cm
density :0.938 ± 0.06 g/cm3
polarizability :20.88 ± 0.5 10-24cm3
xlogp : 3.90
molecular weight : 184.2753000
formula :C11 H20 O2
 
 
fda reg :unspecified h. number :2932.29.6000
organoleptics : 
odor type :fruity
odor strength :medium
odor description :
at 100.00 %.  
creamy fatty fruity sweet peach oily apricot fresh
taste description³ :at 30.00 ppm.  
Fatty, coconut, creamy, vanilla, nutty, macadamia and peach
substantivity :338 hour(s) at 100.00 %
properties : 
appearence :colorless to pale yellow clear oily liquid
assay : 99.00 - 100.00 %   
Food Chemicals Codex Listed :Yes
specific gravity :0.94100 - 0.94700 @ 25.00 °C.
pounds per gallon - calc. : 7.830 to 7.880
specific gravity :0.94200 - 0.94800 @ 20.00 °C.
pounds per gallon - calc. : 7.848 to 7.898
refractive index :1.44900 - 1.45400 @ 20.00 °C.
boiling point : 164.00 - 166.00 °C. @ 13.00 mm Hg
boiling point : 297.00 °C. @ 760.00 mm Hg
acid value : 5.00  max.  KOH/g
logp : 3.06
shelf life : 24.00 month(s) or longer if stored properly.
storage :store in cool, dry place in tightly sealed containers, protected from heat and light.
safety : 
most important hazard(s) : Xi - Irritant
  
Oral Toxicity(LD50) : Gavage-Rat   [sex: M,F]  18500.00  mg/kg    (Jenner et al., 1964)
Dermal Toxicity(LD50) : Not determined
Maximised Survey-derived Daily Intakes (MSDI) :1200.00 (μg/capita/day)
  
flash point ( Deg. F. ) : 200.00  °F.  TCC  ( 93.33 °C. )
  
recommendation for gamma-undecalactone (aldehyde C-14) usage levels up to :
  5.0000 % in the fragrance concentrate.
  
recommendation for gamma-undecalactone (aldehyde C-14) usage levels up to :
  90.0000 ppm in the flavor.
  
safety links : 
msds :msds
  
(EINECS) number :203-225-4
rtecs :YQ2485000 for 104-67-6
chemidplus :000104676
epa-srs :104-67-6
dtp/nci :46118
  
chemidplus :104-67-6
epa-srs :104-67-6
  
other : 
  C of A
references : 
jecfa number :233
fl. number :10.002
pubchem :150805
NIST Chemistry WebBook :758888965
  
pubchem :36885377
  
reference : Mosciano, Gerard P&F 23, No. 2, 43, (1998)³
synonyms :
 abriceine
 aldehyde C-14
1,4-hendecanolide
 hendecylene methyl lactone
gamma-heptyl butyrolactone
gamma-N-heptyl butyrolactone
5-heptyl dihydro-2(3H)-furanone
4-heptyl-4-hydroxybutanoic acid lactone
4-N-heptyl-4-hydroxybutanoic acid lactone
gamma-heptyl-gamma-butyrolactone
4-hydroxyundecanoic acid gamma-lactone
4-hydroxyundecanoic acid lactone
 peach aldehyde
 peach lactone
gamma-undecalactone
 undecan-4-olide
gamma-undecanolactone
1,4-undecanolide
4-undecanolide
gamma-undecanolide
gamma-undecyl lactone
 undecylene methyl lactone
soluble in :
 alkali
 benzyl alcohol
 benzyl benzoate
 dipropylene glycol
 ethyl alcohol, 1:2 in 70% alcohol
 ethyl alcohol, 4.5 vol. 60% alcohol
insoluble in :
 water
 glycerin
stability :
 cream
 detergent powder
 hair spray
 lotion
 non-discoloring in most media
 powder
 soap
(odor and/or flavor) blends with :
 acetoin
 allyl cyclohexyl propionate
isoamyl salicylate
 amyris wood oil
 animal carbolactone
 beeswax absolute
 benzophenone
 benzyl salicylate
 caramel furanone
 cassia bark oil
 coriander seed oil
 costus valerolactone
 cyclamen aldehyde
gamma-decalactone
 dihydrojasmone
 dimethyl anthranilate
 dimethyl benzyl carbinol
 dimethyl benzyl carbinyl butyrate
 dodecanal
 ethyl cinnamate
 ethyl maltol
 ethyl vanillin
isoeugenyl acetate
 floral pyranol
 green acetate
 heliotropyl acetone
 hexyl 2-methyl butyrate
alpha-hexyl cinnamaldehyde
 lavender absolute
 leerall
 lilyall
laevo-linalool
 linalool oxide
 madescol
 melon heptenal
 methyl dihydrojasmonate
 methyl ionones
2-methyl undecanal
 musks
gamma-nonalactone
 nonanol
(Z)-6-nonen-1-al
 oakmoss absolute
 ocean propanal
 peru balsam oil
 raspberry ketone methyl ether
 rose absolute
 rose butanoate
 sandalwood oil
 santall
 strawberry glycidate 1
 tonka bean absolute
 vanilla absolute
 verymoss
 vetiver oil
 violet leaf absolute
 watermelon ketone
 ylang ylang oil
(odor and/or flavor) used in :
 acacia
 aldehydic
 apple
 apple green apple
 apple red apple
 apricot
 arpege
 blue grass
 blue mist
 bluebell
 blueberry
 bouquet
 bubblegum
 butterscotch
 cabochard
 calyx
 cedar
 chamade
 cherry
 cherry blossom
 chloe
 citrus
 coconut
 coconut tropical coconut
 cream
 cucumber
 currant
 date
 diorella
 femme
 fetes
 fig
 floral
 fracas
 fruit
 fruit juicy fruit
 gardenia
 gooseberry
 grape
 green
 grenadine
 habuba
 herbal
 hibiscus
 jasmin
 joy
 kiwi
 leather russian leather
 lilac lilas syringa
 lily
 linden blossom limeflower tilleul
 lotus
 magnolia
 mango
 maple
 meadow
 melon watermelon muskmelon cantaloupe
 mitsouko
 muguet lily of the valley
 mulberry
 my sin
 nahema
 neroli
 nut
 nut pistachio
 ocean sea breeze
 papaya
 passion blossom
 passion fruit
 peach
 peach blossom
 pear
 pina colada
 plum
 poison
 powder
 raspberry
 rose
 shalimar
 spice
 strawberry
 tabu
 tide
 tropical
 tutti frutti
 vanilla
 violet
 wintergreen
 woody
natural occurrence in :
apple juice
apricot
butter
meat
milk products
data pageosmanthus absolute @ trace%
passion fruit
peach



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