gamma-nonalactone (aldehyde C-18)
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Notes :
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%
 
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IUPAC name :5-pentyloxolan-2-one
InChI :InChI=1/C9H16O2/c1-2-3-4-5-8-6-7-9(10)11-8/h8H,2-7H2,1H3
InChIKey :OALYTRUKMRCXNH-UHFFFAOYAG
SMILES :CCCCCC1CCC(=O)O1
cas number :104-61-0
(EINECS) number :203-219-1
fema number :2781
coe number :178
jecfa number :229
fl. number :10.001
molar refractivity :43.40 ± 0.3 cm3
parachor :384.3 ± 6.0 cm3
index of refraction :1.444 ± 0.02
surface tension :30.6 ± 3.0 dyne/cm
density :0.956 ± 0.06 g/cm3
polarizability :17.20 ± 0.5 10-24cm3
XlogP : 2.20
molecular weight : 156.2221400 (IUPAC)
formula :C9 H16 O2
pherobase floral:view
NMR Predictor :Predict
 
 
IUPAC name :(5R)-5-pentyloxolan-2-one
InChI :InChI=1/C9H16O2/c1-2-3-4-5-8-6-7-9(10)11-8/h8H,2-7H2,1H3/t8-/m1/s1
InChIKey :OALYTRUKMRCXNH-UHFFFAOYAG
SMILES :O=C1CC[C@@H](CCCCC)O1
cas number :63357-96-0
molar refractivity :43.40 ± 0.3 cm3
parachor :384.3 ± 6.0 cm3
index of refraction :1.444 ± 0.02
surface tension :30.6 ± 3.0 dyne/cm
density :0.956 ± 0.06 g/cm3
polarizability :17.20 ± 0.5 10-24cm3
XlogP : 2.70
molecular weight : 156.2221400 (IUPAC)
formula :C9 H16 O2
NMR Predictor :Predict
 
 
IUPAC name :(5S)-5-pentyloxolan-2-one
InChI :InChI=1/C9H16O2/c1-2-3-4-5-8-6-7-9(10)11-8/h8H,2-7H2,1H3/t8-/m0/s1
InChIKey :OALYTRUKMRCXNH-QMMMGPOBBX
SMILES :CCCCC[C@H]1CCC(=O)O1
cas number :63357-97-1
molar refractivity :43.40 ± 0.3 cm3
parachor :384.3 ± 6.0 cm3
index of refraction :1.444 ± 0.02
surface tension :30.6 ± 3.0 dyne/cm
density :0.956 ± 0.06 g/cm3
polarizability :17.20 ± 0.5 10-24cm3
XlogP : 2.70
molecular weight : 156.2221400 (IUPAC)
formula :C9 H16 O2
NMR Predictor :Predict
 
 
export tariff code :2932.29.5050
fda reg :172.515
Suppliers :
Advanced Biotech :gamma-nonalactone
97% min. natural
Odor:  Coconut
AROMOR :gamma-NONALACTONE
NATURE-IDENTICAL (KOSHER)
Odor:  COCONUT-LIKE, SWEET, FRUITY
Bedoukian Research :gamma-NONALACTONE (ALDEHYDE C-18)
≥98.0%, FCC, Kosher
Odor:  Odor is creamy and coconut-like
Used in tropical fruit complexes.
Flavor:  creamy
Used in coconut, peach, apricot, vanilla, maple, honey and chocolate flavors.
Berje :Aldehyde C-18
Charabot :gamma-nonalactone
Citrus and Allied Essences :gamma-Nonalactone
FCC
Elan :aldehyde C-18
FCC, Kosher
Fleurchem :aldehyde C-18
Fontarome :GAMMA-NONALACTONE (Coconut aldehyde)
Odor:  Fatty, coconut, fragrant, anise, licorice
Inoue :gamma-NONALACTONE
John D. Walsh :Aldehyde C-18
Moellhausen :gamma-nonalactone
98% min. nature identical kosher
Organica Aromatics :C-18 ALDEHYDE
NLT 98%(sum of isomers)
Penta :aldehyde C-18
Polarome :gamma-NONALACTONE
SAFC Global® :gamma-Nonalactone
≥98%, FCC, Kosher
Odor:  anise; coconut; fatty; herbaceous
Symrise :Aldehyde C18 so-called
Odor:  creamy, appetizing, resembling coconut and apricot
Flavor:  coconut creamy apricot
Ungerer :gamma-Nonalactone
(Aldehyde C-18)
Vigon :Aldehyde C-18 Gamma Nonalactone
FCC
Odor:  Creamy, appetizing, resembling coconut and apricot
organoleptics :
odor type :coconut
odor strength :medium
odor description:
at 100.00 %.  		coconut creamy waxy sweet buttery oily
Luebke, William tgsc, (1982)
odor sample from :Givaudan Corporation
odor description:
Sweet, creamy, coconut, fatty with oily buttery nuances
Mosciano, Gerard P&F 17, No. 1, 41, (1992)
taste description:
at 10.00 ppm.  		Coconut, creamy, waxy with fatty milky notes
Mosciano, Gerard P&F 17, No. 1, 41, (1992)
substantivity :309 hour(s) at 100.00 %
properties :
appearence :colorless to pale yellow clear oily liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :Yes
specific gravity :0.95800 to 0.96500 @ 25.00 °C.
pounds per gallon - calc. : 7.972 to 8.030
specific gravity :0.96000 to 0.97000 @ 20.00 °C.
pounds per gallon - calc. : 7.997 to 8.081
refractive index :1.44600 to 1.44900 @ 20.00 °C.
boiling point : 243.00 °C. @ 760.00 mm Hg
boiling point : 121.00 to 122.00 °C. @ 6.00 mm Hg
acid value : 1.20  max.  KOH/g
vapor pressure :4.00000 mm/Hg @ 25.00 °C.
vapor density :>1 ( Air = 1 )
flash point :> 200.00  °F.  TCC  ( > 93.33 °C. )
logP (o/w) : 1.85
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
  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 : 10 % solution: no irritation or sensitization.
Oral Toxicity(LD50) : 
  Gavage-Rat   [sex: M,F]  9780.00  mg/kg
(Jenner et al., 1964)

Oral-Rat   [sex: M]  6600.00  mg/kg
(Moreno, 1972a)

Gavage-Guineapig   [sex: M,F]  3440.00  mg/kg
(Jenner et al., 1964)

Dermal Toxicity(LD50) : 
  Skin-Rabbit  >5000.00  mg/kg
Food and Cosmetics Toxicology. Vol. 13, Pg. 889, 1975.

Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavor and fragrance agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :1000.00 (μg/capita/day)
 
recommendation for gamma-nonalactone (aldehyde C-18) fragrance usage levels up to :
  10.0000 % in the fragrance concentrate.
recommendation for gamma-nonalactone (aldehyde C-18) flavor usage levels up to :
  50.0000 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...
msds :msds
EPI System :view
NLM Hazardous Substances Data Bank :search
NLM Developmental and Reproductive Toxicity :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :1
 
 
 
 
5-pentyloxolan-2-one
(EINECS) number :203-219-1
RTECS :LU3675000 for cas# 104-61-0
chemidplus :000104610
EPA Substance Registry Services :104-61-0
dtp/nci :46099
 
 
 
(5R)-5-pentyloxolan-2-one
chemidplus :63357-96-0
EPA Substance Registry Services :63357-96-0
 
 
 
(5S)-5-pentyloxolan-2-one
chemidplus :63357-97-1
EPA Substance Registry Services :63357-97-1
references :
Leffingwell :chirality
 
5-pentyloxolan-2-one
fl. number :10.001
jecfa number :229
NIST Chemistry WebBook :1715262819
pubchem :150801
Flavornet :104-61-0
 
(5R)-5-pentyloxolan-2-one
pubchem :37194172
 
(5S)-5-pentyloxolan-2-one
pubchem :36885347
Cosmetics :
Cosmetic uses : perfuming agents
solvents
other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
 C of A
RIFM :listed
FMA :listed
FDA Everything Added to Food in the United States (EAFUS)View
Household Products : Search
synonyms :
 abricolin
 aldehyde C-18
delta-N-amyl butyrolactone
gamma-amyl butyrolactone
gamma-N-amyl butyrolactone
4-amyl-4-hydroxybutyric acid lactone
4-N-amyl-4-hydroxybutyric acid lactone
gamma-amyl-gamma-butyrolactone
 coconut aldehyde
 dihydro-5-pentyl-2(3H)-furanone
4-hydroxynonanoic acid gamma-lactone
4-nonalactone
 nonan-4-olide
gamma-nonanolactone
1,4-nonanolide
4-nonanolide
gamma-nonanolide
 nonanolide-1,4
1,4-nonyl lactone
gamma-nonyl lactone
gamma-nonyl-gamma-butylrolactone
gamma-nonylactone
gamma-pelargolactone
4-pentyl butan-4-olide
4-pentyl butanolide
gamma-pentyl-gamma-butyrolactone
4-pentylbutan-4-olide
5-pentyloxolan-2-one
 prunolide
soluble in :
 benzyl alcohol
 dipropylene glycol
 ethyl alcohol, 1:2 in 60% alcohol
 ethyl alcohol, 1:5 in 50% alcohol
 fixed oils
 paraffin oil
insoluble in :
 water
stability :
 cream
 detergent
 hair spray
 lipstick
 lotion
 non-discoloring in most media
 powder
 soap
potential blenders :    note
 acetoinFL/FR
 acetoin acetateFL/FR
 acetyl butyrylFL/FR
 acetyl isobutyrylFL/FR
 acetyl isovalerylFL
 acetyl nonyrylFL/FR
 acetyl propionylFL/FR
2-acetyl-2-thiazolineFL
 allyl methyl trisulfideFL
 allyl nonanoateFL/FR
 amyl heptanoateFL/FR
isoamyl octanoateFL/FR
isoamyl phenyl acetateFL/FR
6-amyl-alpha-pyroneFL/FR
 amyris wood oilFL/FR
para-anisaldehydeFL/FR
 bay leaf oilFL/FR
 benzoin resinoidFL/FR
 benzyl lactateFL/FR
 benzylidene acetoneFL
isobornyl acetateFL/FR
isobutyl benzyl carbinolFL/FR
 butyl butyryl lactateFL/FR
 butyl lactateFL/FR
 butyl laevo-lactateFL/FR
 butyl octanoateFL/FR
 butyl undecylenateFL/FR
 butyric acidFL
2-oxobutyric acidFL
isobutyric acidFL
 butyroinFL
gamma-butyrolactoneFL/FR
 caramel furanoneFL
 caraway seed oilFL/FR
 cassia bark oilFL/FR
 cedarwood oils 
 cinnamon leaf oilFL/FR
 cinnamyl benzoateFL/FR
 clove bud oilFL/FR
 coconut decanoneFR
 coconut naphthalenoneFL/FR
 coffee furanoneFL
 costus valerolactoneFR
 creamy lactoneFL/FR
 dairy lactoneFL/FR
alpha-decalactoneFR
delta-decalactoneFL/FR
gamma-decalactoneFL/FR
6-decenoic acidFL
 dehydromenthofurolactoneFL
 diacetylFL
 diacetyl trimerFL
5,5-dibutyl dihydrofuran-2(3H)-oneFL
 dihydrojasmone lactoneFL/FR
1,2-dimethoxybenzeneFL/FR
alpha,alpha-dimethyl anisyl acetoneFL/FR
 dimethyl benzofuranoneFL
delta-dodecalactoneFL/FR
 dodecanolFL/FR
delta-2-dodecenolactoneFL/FR
 ethyl lactateFL/FR
 ethyl laurateFL/FR
 ethyl maltolFL/FR
 ethyl palmitateFL/FR
2-ethyl pyrazineFL/FR
 ethyl undecanoateFL/FR
 ethyl undecylenateFL/FR
 ethyl vanillinFL/FR
 ethyl vanillin isobutyrateFL/FR
 ethyl vanillin propylene glycol acetalFL/FR
isoeugenyl acetateFL/FR
 farnesyl acetoneFL/FR
 gardenia oxideFR
laevo-glutamineCS
 glyceryl 5-hydroxydecanoateFL/FR
 glyceryl 5-hydroxydodecanoateFL/FR
 guaiacwood oilFL/FR
 heliotropinFL/FR
 heliotropyl acetoneFL/FR
delta-heptalactoneFL/FR
gamma-heptalactoneFL/FR
 heptanal 2,3-butane diol acetalFL
 heptanal dimethyl acetalFL/FR
2,3-heptane dioneFL/FR
2-heptanoneFL/FR
(Z)-4-hepten-1-alFL/FR
(Z)-4-hepten-1-al diethyl acetalFL/FR
(Z)-4-hepten-1-olFL/FR
3-heptyl dihydro-5-methyl-2(3H)-furanoneFL/FR
gamma-hexalactoneFL/FR
3,4-hexane dioneFL/FR
(Z)-3-hexen-1-yl butyrateFL/FR
 hexen-1-yl cyclopentanoneFR
4-hydroxybenzyl alcoholFL/FR
 immortelle absoluteFL/FR
 jasmin lactoneFL/FR
 jasmin pyranoneFL/FR
 labdanum resinoidFR
 lauric acidFR
 levulinic acidFL
laevo-linaloolFL/FR
 linalyl butyrateFL/FR
 massoia bark oilFL
 massoia lactoneFL
 methionalFL
 methyl (Z)-5-octenoateFL
 methyl 2-thiofuroateFL
3-methyl butyl 2-furyl butyrateFL
alpha-methyl cinnamaldehydeFL/FR
6-methyl coumarinFL
7-methyl coumarinCS
 methyl coumarins 
 methyl heptadienoneFL/FR
2-methyl heptanoic acidFL/FR
 methyl ionones 
 methyl laurateFL/FR
4-methyl octanoic acidFL
 methyl phenyl acetateFL/FR
3-(methyl thio) hexanalFL
 mint lactoneFL/FR
 musks 
 myristyl alcoholFL/FR
delta-nonalactoneFL/FR
2-nonanolFL/FR
1-nonen-3-olFL/FR
 nutmeg oilFL/FR
 ocean propanalFL/FR
2,4-octadien-1-olFL/FR
delta-octalactoneFL/FR
gamma-octalactoneFL/FR
3-octen-2-olFL/FR
4-octen-3-oneFL
1-octen-3-yl butyrateFL/FR
 octyl 2-furoateFL
 octyl butyrateFL/FR
 octyl isobutyrateFL/FR
(E)-2-pentenoic acidFL
2-pentyl cyclopentanoneFR
 peru balsam oilFL/FR
3-phenyl propyl alcoholFL/FR
 phthalideFL/FR
 prenyl isobutyrateFL/FR
 propyl octanoateFL/FR
isopropyl octanoateFL/FR
 santallFR
 sodium 4-methyl-2-oxovalerateFL
 strawberry furanone acetateFL/FR
delta-tetradecalactoneFL/FR
 tetrahydrojasmoneFR
3-tetrahydrothiophenoneFL
 tonka bean absoluteFR
2-tridecanoneFL/FR
(E,E)-2,4-undecadien-1-alFL
delta-undecalactoneFL/FR
gamma-undecalactoneFL/FR
 undecanoic acidFL/FR
 vanilla absoluteFL/FR
 vanilla oleoresinFL/FR
 vanillic acidFL/FR
 vanillinFL/FR
 vanillyl acetateFL/FR
 vanillyl alcoholFL/FR
 vanillyl isobutyrateFL/FR
 vanillylidene acetoneFL/FR
 verymossFR
 waxy lactoneFL/FR
 whiskey lactoneFL/FR
 wine lactoneFL/FR
potential uses :
 amber
 apricot
 balsam
 banana
 bay
 bay rum
 bouquet
 caramel
 cedarwood
 chocolate cocoa
 chypre
 coconut
 coconut tropical coconut
 femme
 fern fougere
 fig
 floral
 fracas
 fruit tropical fruit
 gardenia
 grass sweet grass
 honeysuckle chevrefeuille
 juniperberry
 lavender
 lilac lilas syringa
 lou lou
 lychee soapberry
 mace
 magnolia
 maple
 nutmeg
 orange
 orchid
 oriental
 peach
 pina colada
 pine
 plum
 poison
 raspberry
 sandalwood
 strawberry
 tonka
 tuberose tubereuse
 vanilla
 white shoulders
 woody
natural occurrence in :    note
 apricot S
 bread wheat bread  
data pagechampaca concrete @ trace% S
 crispbread  
 currant black currant berry S
 currant black currant bud S
data pageeschweilera coriacea (a. p. dc.) mori flower oil brazil @ 2.20% S
PbMdham  
data pageosmanthus absolute @ 0.04% S
 papaya  
 peach  
 pineapple  
 sugar heated sugar  
 tea black tea  
PbMdtea green tea with jasmin  
 wine  


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