dehydroxylinalool oxide
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Notes :
Blends well with citrus and green notes.
 
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IUPAC name :2-ethenyl-2-methyl-5-prop-1-en-2-yloxolane
InChI :InChI=1/C10H16O/c1-5-10(4)7-6-9(11-10)8(2)3/h5,9H,1-2,6-7H2,3-4H3
InChIKey :XIGFNCYVSHOLIF-UHFFFAOYAM
SMILES :CC(=C)C1CCC(O1)(C)C=C
cas number :13679-86-2
(EINECS) number :237-184-9
fema number :3759
coe number :11944
jecfa number :1455
fl. number :13.097
molar refractivity :48.82 ± 0.3 cm3
parachor :390.1 ± 6.0 cm3
index of refraction :1.505 ± 0.02
surface tension :31.5 ± 3.0 dyne/cm
density :0.925 ± 0.06 g/cm3
polarizability :19.35 ± 0.5 10-24cm3
XlogP : 1.90
molecular weight : 152.2334400 (IUPAC)
formula :C10 H16 O
NMR Predictor :Predict
 
 
export tariff code :2909.20.0000
fda reg :unspecified

Suppliers :
Penta :5-isopropenyl-2-methyl-2-vinyl tetrahydrofuran
Tokyo Chemical Industry :2-Isopropenyl-5-methyl-5-vinyltetrahydrofuran
>97.0%(GC) (mixture of isomers)

organoleptics :
odor type :herbal
odor strength :medium
odor description¹ :
at 100.00 %.  
green minty spice herbal rosemary phenolic
odor sample from :Dragoco Inc.
odor description³ :
Green, cooling spice, herbaceous, with a terpy and minty nuance
taste description³ :
Woody, piney, spicy, minty with a green citrus nuance
substantivity :4  Hour(s)

properties :
appearence :colorless clear liquid
assay : 97.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :0.87200 to 0.88200 @ 25.00 °C.
pounds per gallon - calc. : 7.256 to 7.339
refractive index :1.44700 to 1.45700 @ 20.00 °C.
boiling point : 167.00 to 168.00 °C. @ 760.00 mm Hg
boiling point : 70.00 °C. @ 23.00 mm Hg
acid value : 2.00  max.  KOH/g
vapor pressure :13.40000 mm/Hg @ 25.00 °C.
vapor density :>1 ( Air = 1 )
flash point : 115.00  °F.  TCC  ( 46.11 °C. )
logP (o/w) : 2.77

safety :
most important hazard(s) :Xi - Irritant
  R 10 - Flammable.
R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
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-Mouse    1000.00-2000.00  mg/kg
(Bonetti, 1983)

Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
Maximised Survey-derived Daily Intakes (MSDI-EU) :0.90 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :0.03 (μg/capita/day)
 
recommendation for dehydroxylinalool oxide fragrance usage levels up to :
  5.0000 % in the fragrance concentrate.

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
WISER :UN 1993
 
WGK Germany :1
 
 
 
 
2-ethenyl-2-methyl-5-prop-1-en-2-yloxolane
(EINECS) number :237-184-9
chemidplus :013679862
EPA Substance Registry Services :13679-86-2

references :
 
2-ethenyl-2-methyl-5-prop-1-en-2-yloxolane
fl. number :13.097
jecfa number :1455
pubchem :198054

Cosmetics :
Cosmetic uses : perfuming agents

other :
reference : Luebke, William tgsc, (1985)¹
reference : Mosciano, Gerard P&F 15, No. 6, 35, (1990)³
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 :
 anhydrolinalool oxide
 dehydroxylinalool oxide
 desoxide
2-ethenyl tetrahydro-2-methyl-5-(1-methyl ethenyl) furan
2-ethenyl-2-methyl-5-(1-methyl ethenyl) tetrahydrofuran
2-ethenyl-2-methyl-5-prop-1-en-2-yloxolane
 herboxide
2-methyl-2-vinyl-5-isopropenyl tetrahydrofuran
5-isoprenyl-2-methyl-2-vinyl tetrahydrofurane
5-isopropenyl-2-methyl-2-vinyl tetrahydrofuran
 tetrahydro-5-isopropenyl-2-methyl-2-vinyl furan

soluble in :
 alcohol

insoluble in :
 water

potential blenders :
6-acetoxydihydrotheaspiraneFL/FR
 agrumen nitrileFR
 allyl amyl glycolateFR
 allyl cyclohexyl propionateFL/FR
 amber carbinolFR
isoamyl benzoateFL/FR
isoamyl butyrateFL/FR
alpha-amyl cinnamaldehydeFL/FR
alpha-amyl cinnamyl formateFL/FR
isoamyl phenyl acetateFL/FR
isoamyl salicylateFL/FR
 amyris wood oilFR
para-anisaldehydeFL/FR
para-anisyl acetateFL/FR
para-anisyl alcoholFL/FR
 basil absolute sweetFL/FR
 bay leaf oilFL/FR
 beeswax absoluteFL/FR
 benzoin resinoidFL/FR
 benzyl acetateFL/FR
 benzyl cinnamateFL/FR
 benzyl isoeugenolFL/FR
 benzyl propionateFL/FR
 benzyl salicylateFL/FR
 bergamot oilFL
 bois de rose oilFL/FR
isobutyl (E,E)-2,4-decadienamideFL/FR
isobutyl angelateFL/FR
isobutyl cinnamateFL/FR
isobutyl heptanoateFL/FR
isobutyl methyl ketoneFL/FR
isobutyl quinolineFR
isobutyl quinolineFR
2-sec-butyl thiazoleFL/FR
4-butyl thiazoleFL
sec-butyl-3-methyl but-2-ene thioateFL/FR
 cajuput oil vietnamFL/FR
 calameneneFL/FR
alpha-campholenic aldehydeFL/FR
 carrot leaf oilFL/FR
 carrot seed oilFL/FR
 carrot weed oilFL/FR
 carvacryl ethyl etherFL/FR
 carvacryl methyl etherFL/FR
 cassia bark oilFL/FR
 cedarwood oilsFR
 chamomile oilFL/FR
 cinnamaldehyde dimethyl acetalFL/FR
 cinnamyl alcoholFL/FR
 cinnamyl formateFL/FR
 citronellolFL/FR
 citrus carbaldehydeFR
 clary sage oilFL/FR
 clove bud oilFL/FR
 clover nitrileFR
 coriander seed absoluteFL/FR
 coriander seed concreteFL/FR
 coriander seed oilFL/FR
(-)-cubenolFL/FR
 cuminaldehydeFL/FR
 cuminyl alcoholFL/FR
 currant bud absolute blackFL/FR
 cyclamen aldehydeFL/FR
isocyclogeraniolFR
 cyclohexyl ethyl alcoholFL/FR
beta-damasconeFL/FR
gamma-decalactoneFL/FR
 decanolFL/FR
9-decen-1-olFL/FR
 dihydrorose oxideFR
 dill weed oilFL/FR
 dill weed oil reunionFL/FR
2,4-dimethyl anisoleFL
 dimethyl benzyl carbinolFL/FR
 dimethyl benzyl carbinyl butyrateFL/FR
 dimethyl benzyl carbinyl formateFL/FR
2,4-dimethyl-3-cyclohexene-1-methanolFR
 dipentene terpene hydrocarbon byproductsFL/FR
 diphenyl oxideFL/FR
 ethyl 4-pentenoateFL/FR
 ethyl cinnamateFL/FR
 ethyl maltolFL/FR
 ethyl vanillinFL/FR
isoeugenyl acetateFL/FR
 fig leaf absoluteFL
 fir balsam absoluteFL/FR
 fir needle oilFL/FR
 floral pyranolFR
 gardenia acetalFR
 geraniolFL/FR
 geranium oil africaFL/FR
 geranium oil egyptFL/FR
 green acetateFR
 heliotropyl diethyl acetalFL/FR
 heptanalFL/FR
 heptanolFL/FR
2-heptanoneFL/FR
 herbal acetalFR
 herbal cyclohexaneFR
 herbal dioxaneFR
 herbal heptaneFR
(E,E)-2,4-hexadien-1-olFL
(E)-4-hexen-1-olFL/FR
(Z)-3-hexen-1-olFL/FR
(Z)-4-hexen-1-olFL/FR
3-hexen-1-yl 2-methyl butyrateFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl benzoateFL/FR
(Z)-3-hexen-1-yl salicylateFL/FR
(Z)-3-hexen-1-yl tiglateFL/FR
 hexyl 3-mercaptobutanoateFL/FR
alpha-hexyl cinnamaldehydeFL/FR
 hexyl tiglateFL/FR
 hop absoluteFL/FR
 hop oilFL/FR
 hyacinth etherFR
 hydroxycitronellalFL/FR
 ionones 
 ivy leaf absoluteFR
 leerallFR
 linaloolFL/FR
laevo-linaloolFL/FR
 linalool oxideFL/FR
 linalyl acetateFL/FR
 linalyl formateFL/FR
 linalyl octanoateFL/FR
 marigold oil mexicoFL/FR
 marine pyridineFR
 marjoram oil sweet cubaFL/FR
 marjoram oil sweet cyprusFL/FR
 marjoram oil sweet egyptFL/FR
 marjoram oil sweet moroccoFL/FR
 melon nonenoateFL/FR
para-menth-1-en-9-alFL/FR
1-para-menthen-9-yl acetateFL/FR
 methyl cedryl ketoneFL/FR
alpha-methyl cinnamaldehydeFL/FR
 methyl cinnamateFL/FR
 methyl dihydrojasmonateFL/FR
 methyl ionones 
 methyl isoeugenolFL/FR
(E)-6-methyl-3-hepten-2-oneFL/FR
 mistletoe absoluteFR
 muguet carboxaldehydeFR
 musks 
T-muurololFL/FR
beta-naphthyl ethyl etherFL/FR
 nerolFL/FR
 nerolidolFL/FR
 neryl formateFL/FR
 nonanalFL/FR
 nonanolFL/FR
3-nonanolFL/FR
 nonisyl formateFR
 ocean propanalFL/FR
(E)-2-octen-1-alFL/FR
3-octen-1-yl acetateFL/FR
3-octen-2-oneFL/FR
 origanum oilFL
 origanum oil turkeyFL
 orris pyridineFL/FR
 parsley seed oilFL/FR
 patchouli absoluteFL/FR
 patchouli ethanoneFR
2-pentyl cyclopentanoneFR
 peony alcoholFR
 pepper oil blackFL/FR
 perillaldehydeFL/FR
 perillyl acetateFL/FR
 phenethyl acetateFL/FR
 phenethyl alcoholFL/FR
 phenethyl propionateFL/FR
3-phenyl propyl alcoholFL/FR
isophytolFL/FR
 privet dioxaneFR
2-propyl thiazoleFL
isopulegolFL/FR
 raspberry ketone methyl etherFL/FR
 reseda absoluteFR
 rhodinolFL/FR
 rose butanoateFL/FR
 rose pyranFR
 saffron indenoneFL/FR
 safranalFL/FR
 santallFR
 seaweed absoluteFL/FR
 strawberry furanoneFL/FR
 strawberry glycidate 1FL/FR
 tagete flower oil rwandaFL/FR
 tagete oilFL/FR
 tagete oil CO2 extractFL/FR
alpha-terpineolFL/FR
 tetrahydrolinaloolFL/FR
 theaspiraneFL/FR
alpha-thujeneFL/FR
 thyme absoluteFL/FR
 thymyl methyl etherFL/FR
 timber dioxolaneFR
 tobacco dodecaneFR
 tonka bean absoluteFR
 treemoss absoluteFR
 tricyclodecyl acetateFR
 tropical indeneFR
gamma-undecalactoneFL/FR
 vanilla absoluteFL/FR
 vanillyl acetateFL/FR
 verymossFR
 vetiver oilFL/FR
 violet methyl carbonateFR
 viridiflorolFL/FR
 woody acetateFR
 woody amyleneFR

potential uses :
 aldehydic
 berry
 berry
 blueberry
 citrus
 eucalyptus
 grape
 green
 herbal
 lime
 mango
 mint
 pepper
 pine
 spice
 tea
 topnotes
 tropical
 woody

natural occurrence in :
 brandy  
 coffee  
 grape  
 honey  
 osmanthus S
 passion fruit S
data pagepetitgrain oil @ 0.10% S
 wine  



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