gamma-heptalactone
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Notes :
Modifier and sweetener in florals.
 
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IUPAC name :5-propyloxolan-2-one
InChI :InChI=1/C7H12O2/c1-2-3-6-4-5-7(8)9-6/h6H,2-5H2,1H3
InChIKey :VLSVVMPLPMNWBH-UHFFFAOYAD
SMILES :CCCC1CCC(=O)O1
cas number :105-21-5
(EINECS) number :203-279-9
beilstein number :0109569
fema number :2539
coe number :2253
jecfa number :225
fl. number :10.020
molar refractivity :34.14 ± 0.3 cm3
parachor :304.2 ± 6.0 cm3
index of refraction :1.436 ± 0.02
surface tension :29.6 ± 3.0 dyne/cm
density :0.983 ± 0.06 g/cm3
polarizability :13.53 ± 0.5 10-24cm3
XlogP : 1.60
molecular weight : 128.1689800 (IUPAC)
formula :C7 H12 O2
NMR Predictor :Predict
 
 
export tariff code :2932.29.6000
fda reg :172.515
Suppliers :
Apple :gamma-Heptalactone
Bedoukian Research :gamma-HEPTALACTONE
≥98.0%, FCC, Kosher
Odor:  A waxy, creamy, coconut character
For a creamy finish in most vanilla, coconut and gardenia fragrances.
Flavor:  sweet creamy
Widely used in vanilla, peach, nut, maple, almond, coconut and cream flavors.
Berje :gamma-Hepta Lactone
Citrus and Allied Essences :gamma-heptalactone
FCC
Fontarome :GAMMA-HEPTALACTONE
Odor:  Waxy, creamy, coconut
Inoue :gamma-HEPTALACTONE
Penta :gamma-heptalactone
Polarome :gamma-HEPTALACTONE
SAFC Global® :gamma-Heptalactone
≥98%, FCC, Kosher, FG
Odor:  caramel; coconut; herbaceous; sweet
organoleptics :
odor type :coconut
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description:
at 10.00 % in dipropylene glycol.  		sweet coconut nutty caramel tonka hay
Luebke, William tgsc, (1990)
odor sample from :CA Aromatics Company Inc.
odor description:
Sweet, coconut, coumarin, Iactonic, creamy and powdery
Mosciano, Gerard P&F 17, No. 3, 57, (1992)
taste description:
at 15.00 ppm.  		Sweet, Iactonic, creamy, coconut and coumarin, with milky and tobacco nuances
Mosciano, Gerard P&F 17, No. 3, 57, (1992)
substantivity :400  Hour(s)
properties :
appearence :colorless clear oily liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :Yes
specific gravity :0.99700 to 1.00400 @ 25.00 °C.
pounds per gallon - calc. : 8.296 to 8.354
refractive index :1.43900 to 1.44500 @ 20.00 °C.
boiling point : 61.00 to 62.00 °C. @ 2.00 mm Hg
boiling point : 100.00 to 106.00 °C. @ 7.00 mm Hg
acid value : 2.00  max.  KOH/g
vapor pressure :0.20000 mm/Hg @ 20.00 °C.
vapor density :>1 ( Air = 1 )
flash point :> 230.00  °F.  TCC  ( > 110.00 °C. )
logP (o/w) : 0.79
safety :
most important hazard(s) :Xi - Irritant
  R 38 - Irritating to skin.
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 : 4 % solution: no irritation or sensitization.
Oral Toxicity(LD50) : 
  Oral-Rat    >5000.00  mg/kg
(Moreno, 1977g)

Dermal Toxicity(LD50) : 
  Skin-Rabbit  >5000.00  mg/kg
FCTOD7  20,703,1982

Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavor and fragrance agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :170.00 (μg/capita/day)
 
recommendation for gamma-heptalactone fragrance usage levels up to :
  8.0000 % in the fragrance concentrate.
recommendation for gamma-heptalactone flavor usage levels up to :
  15.0000 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
NLM Developmental and Reproductive Toxicity :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :2
 
 
 
 
5-propyloxolan-2-one
(EINECS) number :203-279-9
RTECS :LU3697000 for cas# 105-21-5
chemidplus :000105215
EPA Substance Registry Services :105-21-5
dtp/nci :46097
references :
Leffingwell :chirality
 
5-propyloxolan-2-one
fl. number :10.020
jecfa number :225
NIST Chemistry WebBook :2840673691
pubchem :150833
Flavornet :105-21-5
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-propyl-2(3H)-furanone
 heptan-4-olide
gamma-heptanolactone
1,4-heptanolide
4-hydroxyheptanoic acid gamma-lactone
4-hydroxyheptanoic acid lactone
gamma-propiobutyrolactone
4-propyl butan-4-olide
4-propyl-4-hydroxybutanoic acid lactone
4-N-propyl-4-hydroxybutanoic acid lactone
gamma-propyl-gamma-butyrolactone
4-propylbutan-4-olide
5-propyloxolan-2-one
soluble in :
 alcohol
 fixed oils
 water, slightly
insoluble in :
 water
potential blenders :    note
 acetoinFL/FR
 acetophenoneFL/FR
 amyl heptanoateFL/FR
isoamyl octanoateFL/FR
isoamyl salicylateFL/FR
6-amyl-alpha-pyroneFL/FR
 amyris wood oilFL/FR
 angelica root oilFL/FR
para-anisaldehydeFL/FR
para-anisyl acetateFL/FR
para-anisyl alcoholFL/FR
 armoise oilFR
 benzaldehydeFL/FR
 benzoin resinoidFL/FR
 benzyl cinnamateFL/FR
 benzyl isoeugenolFL/FR
 benzyl salicylateFL/FR
 benzylidene acetoneFL
isobutyl cinnamateFL/FR
isobutyl salicylateFL/FR
 cananga oilFL/FR
 caramel furanoneFL
 cascarilla bark oilFL/FR
 cedarwood oils 
 celery seed oilFL/FR
 civet absoluteFL/FR
 coconut decanoneFR
 coconut naphthalenoneFL/FR
 copaiba balsam oilFL/FR
 costus valerolactoneFR
 coumaneFL/FR
 coumarinFR
 creamy lactoneFL/FR
 cubeb oilFL/FR
alpha-decalactoneFR
delta-decalactoneFL/FR
gamma-decalactoneFL/FR
 deertongue absoluteFR
 deertongue concrete 
 deertongue oleoresinFR
 dehydromenthofurolactoneFL
5,5-dibutyl dihydrofuran-2(3H)-oneFL
 dihydrocoumarinFL
 dihydrojasmoneFL/FR
 dihydrojasmone lactoneFL/FR
 dimethyl benzofuranoneFL
 diphenyl methaneFL/FR
delta-dodecalactoneFL/FR
 dodecanolFL/FR
delta-2-dodecenolactoneFL/FR
 ethyl cinnamateFL/FR
 ethyl maltolFL/FR
 ethyl undecanoateFL/FR
 ethyl vanillinFL/FR
isoeugenyl acetateFL/FR
 fir balsam absoluteFR
 floral pyranolFR
 flouve absoluteFR
 galbanum oilFL/FR
 ginger root oilFL/FR
 glyceryl 5-hydroxydecanoateFL/FR
 glyceryl 5-hydroxydodecanoateFL/FR
 guaiacwood oilFL/FR
 hay absoluteFR
 heliotropinFL/FR
 heliotropyl acetoneFL/FR
 heliotropyl diethyl acetalFR
delta-heptalactoneFL/FR
2-heptanoneFL/FR
 heptyl heptanoateFL/FR
gamma-hexalactoneFL/FR
 hexen-1-yl cyclopentanoneFR
alpha-hexyl cinnamaldehydeFL/FR
4-hydroxybenzyl alcoholFL/FR
 hydroxycitronellalFL/FR
 immortelle absoluteFL/FR
 ionones 
 jasmin lactoneFL/FR
 labdanum resinoidFR
 lauric acidFR
 lavandin oilFL/FR
 lavender oilFL/FR
 linalyl acetateFL/FR
 lovage oleoresinFL
 lovage root oilFL/FR
 massoia bark oilFL
 massoia lactoneFL
7-methoxycoumarinFL
 methyl (Z)-5-octenoateFL
 methyl acetophenoneFL/FR
 methyl cedryl ketoneFL/FR
 methyl cinnamateFL/FR
6-methyl coumarinFL
7-methyl coumarinCS
 methyl coumarins 
 methyl heptadienoneFL/FR
 methyl ionones 
 methyl laurateFL/FR
6-methyl quinolineFL/FR
 mint lactoneFL/FR
 musks 
 myristyl alcoholFL/FR
 myrtenalFL/FR
beta-naphthyl ethyl etherFL/FR
beta-naphthyl methyl etherFL/FR
 nerolidolFL/FR
delta-nonalactoneFL/FR
gamma-nonalactoneFL/FR
 nutmeg oilFL/FR
 oakmoss absoluteFL/FR
 ocean propanalFL/FR
 octahydrocoumarinFL/FR
delta-octalactoneFL/FR
gamma-octalactoneFL/FR
4-octen-3-oneFL
 origanum oilFL/FR
 orris absoluteFL/FR
 palmarosa oilFL/FR
 patchouli ethanoneFR
 patchouli oilFL/FR
2-pentyl cyclopentanoneFR
 peru balsam oilFL/FR
 phenethyl phenyl acetateFL/FR
3-phenyl propionaldehydeFL/FR
 phthalideFL/FR
 pine needle absoluteFL/FR
 propyl octanoateFL/FR
isopropyl octanoateFL/FR
 raspberry ketoneFL/FR
 rosemary oilFL/FR
 sandalwood oilFL/FR
 santallFR
 spruce oilFL/FR
 syringaldehydeFL/FR
 tetrahydrojasmoneFR
 tobacco dodecaneFR
 tolu balsamFL/FR
 tonka bean absoluteFR
 tonka bean oleoresinFR
 tonka bean resinoidFR
 tonka furanoneFL/FR
 tonka ketoneFR
 tonka undecanoneFR
 tonkavertFR
 treemoss absoluteFR
2-tridecanoneFL/FR
delta-undecalactoneFL/FR
 undecanoic acidFL/FR
 vanilla absoluteFL/FR
 vanillyl acetateFL/FR
 vanillyl alcoholFL/FR
 verymossFR
 vetiver oilFL/FR
 vetiverolFL/FR
 whiskey lactoneFL/FR
 wine lactoneFL/FR
 woody acetateFR
 woody propanolFR
potential uses :
 asparagus
 berry
 caramel
 christmas blends
 coconut
 cream
 floral
 fruit
 gardenia
 herbal
 leek
 mango
 maple
 milk
 nut
 nut filbert
 papaya
 passion fruit
 peach
 strawberry
 tea
 tobacco tabac tabaco
 trassi
 vanilla
natural occurrence in :    note
 asparagus S
 beef  
 beer  
 leek S
 mango S
 papaya  
 passion fruit S
 peach  
 prunus persica S
 strawberry S
 tea green tea  

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