gamma-dodecalactone
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IUPAC name :5-octyloxolan-2-one
InChI :InChI=1/C12H22O2/c1-2-3-4-5-6-7-8-11-9-10-12(13)14-11/h11H,2-10H2,1H3
InChIKey :WGPCZPLRVAWXPW-UHFFFAOYAB
SMILES :CCCCCCCCC1CCC(=O)O1
cas number :2305-05-7
(EINECS) number :218-971-6
beilstein number :0126680
fema number :2400
coe number :2240
jecfa number :235
fl. number :10.019
molar refractivity :57.30 ± 0.3 cm3
parachor :504.5 ± 6.0 cm3
index of refraction :1.450 ± 0.02
surface tension :31.5 ± 3.0 dyne/cm
density :0.931 ± 0.06 g/cm3
polarizability :22.71 ± 0.5 10-24cm3
XlogP : 4.50
molecular weight : 198.3018800 (IUPAC)
formula :C12 H22 O2
BioActivity Analysis :87372
pherobase floral:view
NMR Predictor :Predict
 
 
IUPAC name :(5R)-5-octyloxolan-2-one
InChI :InChI=1/C12H22O2/c1-2-3-4-5-6-7-8-11-9-10-12(13)14-11/h11H,2-10H2,1H3/t11-/m1/s1
InChIKey :WGPCZPLRVAWXPW-LLVKDONJBC
SMILES :CCCCCCCC[C@@H]1CCC(=O)O1
cas number :69830-91-7
beilstein number :0126680
molar refractivity :57.30 ± 0.3 cm3
parachor :504.5 ± 6.0 cm3
index of refraction :1.450 ± 0.02
surface tension :31.5 ± 3.0 dyne/cm
density :0.931 ± 0.06 g/cm3
polarizability :22.71 ± 0.5 10-24cm3
XlogP : 4.50
molecular weight : 198.3018800 (IUPAC)
formula :C12 H22 O2
NMR Predictor :Predict
 
 
IUPAC name :(5S)-5-octyloxolan-2-one
InChI :InChI=1/C12H22O2/c1-2-3-4-5-6-7-8-11-9-10-12(13)14-11/h11H,2-10H2,1H3/t11-/m0/s1
InChIKey :WGPCZPLRVAWXPW-NSHDSACABT
SMILES :O=C1CC[C@H](CCCCCCCC)O1
cas number :69830-92-8
beilstein number :0126680
molar refractivity :57.30 ± 0.3 cm3
parachor :504.5 ± 6.0 cm3
index of refraction :1.450 ± 0.02
surface tension :31.5 ± 3.0 dyne/cm
density :0.931 ± 0.06 g/cm3
polarizability :22.71 ± 0.5 10-24cm3
XlogP : 4.50
molecular weight : 198.3018800 (IUPAC)
formula :C12 H22 O2
NMR Predictor :Predict
 
 
export tariff code :2932.29.6000
fda reg :172.515
Suppliers :
Advanced Biotech :gamma-dodecalactone
90% min. natural
Odor:  Buttery, peach
Apple :gamma-Dodecalactone
AROMOR :gamma-DODECALACTONE
NATURE-IDENTICAL (KOSHER)
Odor:  SWEET, FRUITY, PEACH-LIKE, PEAR-LIKE
Bedoukian Research :gamma-DODECALACTONE
≥97.0%, FCC, Kosher
Odor:  A waxy, fatty, sweet aroma with green rind-like undertones
Lends a warm creamy note to fragrances.
Flavor:  creamy
Used for sweet creamy notes in watermelon, cream, peach, coconut and maple flavors.
Charabot :gamma-dodecalactone
Citrus and Allied Essences :gamma-Dodecalactone
FCC
Fontarome :GAMMA-DODECALACTONE
Odor:  Waxy, fatty, sweet aroma with green-rind undertones
IFF :gamma-Dodecalactone
≥98.00%, natural, Kosher
Odor:  Pleasant odor
Inoue :gamma-DODECALACTONE
Moellhausen :gamma-dodecalactone
98% min. nature identical kosher
Odor:  fruity, peach, apricot.
Flavor:  fruity.
Mooreganics :gamma-Dodecalactone
Natural (Organic Compliant)
Odor:  Fruity, musky
Penta :gamma-dodecalactone
Polarome :gamma-DODECALACTONE
Robertet :Dodecalactone Gamma
naturel
SAFC Global® :gamma-Dodecalactone
≥97%, FCC, Kosher
Odor:  musty; fatty; fruity
organoleptics :
odor type :fruity
odor strength :medium
odor description:
at 100.00 %.  		fatty peach sweet metallic fruity
Luebke, William tgsc, (1996)
odor sample from :CA Aromatics Company Inc.
substantivity :400  Hour(s)
properties :
appearence :colorless to pale yellow clear oily liquid
assay : 97.00 to 100.00 %   
Food Chemicals Codex Listed :Yes
specific gravity :0.93300 to 0.93800 @ 25.00 °C.
pounds per gallon - calc. : 7.763 to 7.805
refractive index :1.45100 to 1.45600 @ 20.00 °C.
melting point : 17.00 to 18.00 °C. @ 760.00 mm Hg
boiling point : 130.00 to 132.00 °C. @ 1.50 mm Hg
boiling point : 140.00 to 145.00 °C. @ 5.00 mm Hg
acid value : 1.00  max.  KOH/g
vapor pressure :0.00100 mm/Hg @ 20.00 °C.
flash point :> 230.00  °F.  TCC  ( > 110.00 °C. )
logP (o/w) : 3.45
shelf life : 12.00 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
  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.
Human experience : 12 % solution: no irritation or sensitization.
Oral Toxicity(LD50) : 
  Oral-Rat    >5000.00  mg/kg
(Moreno, 1974d)

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) :190.00 (μg/capita/day)
 
recommendation for gamma-dodecalactone fragrance usage levels up to :
  12.0000 % in the fragrance concentrate.
recommendation for gamma-dodecalactone flavor usage levels up to :
  25.0000 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
 
 
 
 
5-octyloxolan-2-one
(EINECS) number :218-971-6
RTECS :LU3600000 for cas# 2305-05-7
chemidplus :002305057
EPA Substance Registry Services :2305-05-7
dtp/nci :26511
 
 
 
(5R)-5-octyloxolan-2-one
chemidplus :69830-91-7
EPA Substance Registry Services :69830-91-7
 
 
 
(5S)-5-octyloxolan-2-one
chemidplus :69830-92-8
EPA Substance Registry Services :69830-92-8
references :
Leffingwell :chirality
 
5-octyloxolan-2-one
fl. number :10.019
jecfa number :235
NIST Chemistry WebBook :2816969953
pubchem :160038
Flavornet :2305-05-7
 
(5R)-5-octyloxolan-2-one
pubchem :42069017
 
(5S)-5-octyloxolan-2-one
pubchem :69830-92-8
Cosmetics :
Cosmetic uses : perfuming agents
other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
RIFM :listed
FMA :listed
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
 dihydro-5-octyl furan-2(3H)-one
 dodecanolide-1,4
4-hydroxydodecanoic acid gamma-lactone
4-octyl butan-4-olide
4-N-octyl-4-hydroxybutanoic acid lactone
gamma-octyl-gamma-butyrolactone
4-octylbutan-4-olide
5-octyloxolan-2-one
soluble in :
 alcohol
insoluble in :
 water
potential blenders :    note
 allyl 2-ethyl butyrateFL
 allyl cinnamateFL/FR
 allyl cyclohexyl valerateFL
 allyl propionateFL/FR
isoamyl butyrateFL/FR
 amyl isobutyrateFL/FR
isoamyl isobutyrateFL/FR
isoamyl laurateFL/FR
isoamyl nonanoateFL/FR
 amyl propionateFL/FR
para-anisyl propionateFL/FR
 apricot isobutyrateFR
 benzyl butyrateFL/FR
 benzyl heptanoateFR
 benzyl hexanoateFL/FR
 benzyl octanoateFL/FR
 buchu mercaptanFL/FR
2-butanolCS
isobutyl decanoateFL/FR
 butyl decylenateFL/FR
isobutyl hexanoateFL/FR
 butyl isovalerateFL/FR
 butyl nonanoateFL/FR
 cassis pentanoneFL/FR
 citronellyl formateFL/FR
 creamy lactoneFL/FR
 cyclohexyl cinnamateFL/FR
delta-decalactoneFL/FR
gamma-decalactoneFL/FR
 decen-1-yl cyclopentanoneFL/FR
delta-decenolactoneFL
 dihydroactinidolideFL
alpha,alpha-dimethyl benzyl isobutyrateFL/FR
delta-dodecalactoneFL/FR
epsilon-dodecalactoneFL/FR
 epoxy-2-decenalFL
 ethyl 3-hexenoateFL/FR
 ethyl cyclohexane propionateFL/FR
 ethyl octanoateFL/FR
 fresh carbaldehydeFR
 fruity butanateFR
 fruity cyclopentanoneFR
 furfuryl octanoateFL
2-furyl pentyl ketoneFL
 geranyl isobutyrateFL/FR
 glyceryl 5-hydroxydecanoateFL/FR
 glyceryl 5-hydroxydodecanoateFL/FR
 grapefruit menthaneFL/FR
 green etherFL/FR
1-hepten-3-olFL/FR
 heptyl acetateFL/FR
2-heptyl cyclopentanoneFR
 heptyl isobutyrateFL/FR
 heptyl propionateFR
(Z)-3-hexen-1-yl octanoateFL/FR
(Z)-3-hexen-1-yl salicylateFL/FR
 hyacinth etherFR
 jasmin lactoneFL/FR
 jasmin pyranoneFL/FR
 linalyl isovalerateFL/FR
 linalyl valerateFL/FR
 melon carboxaldehydeFR
 melon valerateFL/FR
 methyl benzyl disulfideFL
 methyl propyl trisulfideFL
2,4-nonadien-1-olFL/FR
(E,Z)-3,6-nonadien-1-yl acetateFL/FR
3,6-nonadien-1-yl acetateFL/FR
(Z)-3-nonen-1-olFL/FR
 octen-1-yl cyclopentanoneFL/FR
 peach cyclopentanoneFR
 peach nitrileFR
 peach pivalateFR
 phenethyl butyl etherFR
 phenethyl heptanoateFL/FR
 phenethyl isobutyrateFL/FR
 phenethyl isovalerateFL/FR
1-phenyl propyl butyrateFL/FR
2-phenyl propyl butyrateFL/FR
3-phenyl propyl cinnamateFL/FR
 plum crotonateFR
 propyl butyrateFL/FR
 propyl phenyl acetateFL/FR
4-isopropyl quinolineFL/FR
isopropyl quinolineFR
 tetrahydrofurfuryl butyrateFL/FR
delta-undecalactoneFL/FR
gamma-undecalactoneFL/FR
isovaleraldehydeFL
potential uses :
 apricot
 butter
 coconut
 mango
 papaya
 peach
 strawberry
natural occurrence in :    note
 butter  
 coconut S
data pagenarcissus absolute @ 0.53% S
data pageosmanthus absolute @ 0.21% S
 prunus persica S
 strawberry S

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