ivy dioxolane
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IUPAC name :2-(2-methyl-5-propan-2-yl-7-bicyclo[2.2.2]oct-2-enyl)-1,3-dioxolane
InChI :InChI=1/C15H24O2/c1-9(2)12-8-13-10(3)6-11(12)7-14(13)15-16-4-5-17-15/h6,9,11-15H,4-5,7-8H2,1-3H3
InChIKey :QSWPBUXWYKVPMT-UHFFFAOYAH
SMILES :CC1=CC2CC(C1CC2C(C)C)C3OCCO3
cas number :68901-32-6
(EINECS) number :272-669-9
molar refractivity :68.20 ± 0.3 cm3
parachor :554.6 ± 6.0 cm3
index of refraction :1.502 ± 0.02
surface tension :33.3 ± 3.0 dyne/cm
density :1.024 ± 0.06 g/cm3
polarizability :27.03 ± 0.5 10-24cm3
XlogP : 4.00
molecular weight : 236.3498600 (IUPAC)
formula :C15 H24 O2
NMR Predictor :Predict
 

 
IUPAC name :2-(7-isopropyl-5-methylbicyclo(2.2.2)oct-5-en-2-yl)-1,3-dioxolane
SMILES :O1C(OCC1)[C@@H]1[C@@H]2C(=C[C@@H]([C@@H](C(C)C)C2)C1)C
cas number :94087-23-7
(EINECS) number :301-916-6
molar refractivity :68.20 ± 0.3 cm3
parachor :554.6 ± 6.0 cm3
index of refraction :1.502 ± 0.02
surface tension :33.3 ± 3.0 dyne/cm
density :1.024 ± 0.06 g/cm3
polarizability :27.03 ± 0.5 10-24cm3
XlogP : 4.00
molecular weight : 236.3498600 (IUPAC)
formula :C15 H24 O2
NMR Predictor :Predict
 

 
export tariff code :unspecified
fda reg :unspecified

Suppliers :
Givaudan :Glycolierral
Odor:  Soft Floral, Green, Milky, Ivy leaves, Woody
Penta :glycolierral
Vigon :Glycolierral
Odor:  GREEN, FRUITY

organoleptics :
odor type :green
odor strength :medium
odor description :¹
at 100.00 %.  
floral green milky privet cortex woody
odor sample from :Roure Bertrand Dupont Inc.
substantivity :32  Hour(s)

properties :
appearence :colorless to pale yellow clear liquid
assay : 98.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
flash point : 284.00  °F.  TCC  ( 140.00 °C. )
logP (o/w) : 3.83

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.
Oral Toxicity(LD50) :
  Oral-Rat    8000.00  mg/kg

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

safety in use :
 
recommendation for ivy dioxolane usage levels up to :
  8.0000 % in the fragrance concentrate.
recommendation for ivy dioxolane usage levels up to :
 not for flavor use.

safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :2
 
 
 
 2-(2-methyl-5-propan-2-yl-7-bicyclo[2.2.2]oct-2-enyl)-1,3-dioxolane
(EINECS) number :272-669-9
chemidplus :068901326
EPA Substance Registry Services :68901-32-6
 
 
 2-(7-isopropyl-5-methylbicyclo(2.2.2)oct-5-en-2-yl)-1,3-dioxolane
(EINECS) number :301-916-6
chemidplus :094087237
EPA Substance Registry Services :94087-23-7

references :
 2-(2-methyl-5-propan-2-yl-7-bicyclo[2.2.2]oct-2-enyl)-1,3-dioxolane
pubchem :688697
 2-(7-isopropyl-5-methylbicyclo(2.2.2)oct-5-en-2-yl)-1,3-dioxolane
pubchem :3796315

Cosmetics :
Cosmetic uses : perfuming agents

other :
reference : Luebke, William tgsc, (1985)¹
CosIng :cosmetic data
synonyms :
 glycolierral
2-(2-methyl-5-propan-2-yl-7-bicyclo[2.2.2]oct-2-enyl)-1,3-dioxolane
2(6)-methyl-8-(1-methyl ethyl) bicyclo(2.2.2)oct-5-en-2(3)-yl-1,3-dioxolane
8-isopropyl-6-methyl bicyclooctenyl dioxolane
2-(7-isopropyl-5-methyl bicyclo(2.2.2)oct-5-en-2-yl)-1,3-dioxolane
7-isopropyl-5-methyl bicyclooctenyl dioxolane
2-(8-isopropyl-6-methyl bicyclo(2.2.2)oct-5-en-2-yl)-1,3-dioxolane addition

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) blends with :
 algae absolute
 allyl amyl glycolate
 allyl cyclohexyl propionate
isoamyl benzoate
alpha-amyl cinnamaldehyde
isoamyl salicylate
para-anisyl alcohol
 basil oil
 bay leaf oil
 benzyl acetate
 benzyl alcohol
 benzyl isobutyrate
 benzyl propionate
 benzyl salicylate
 blood orange oil
 bois de rose oil
isobutyl salicylate
 caraway seed oil
 cinnamyl alcohol
 citronellol
 citronellyl acetate
 citrus carbaldehyde
 clary sage oil
 coriander seed oil
 cortex pyridine
para-cresyl caprylate
 cyclamen aldehyde
 cyclohexyl ethyl alcohol
gamma-decalactone
 dihydrojasmone
 dihydromyrcenol
 dimethyl anthranilate
 dimethyl benzyl carbinol
 dimethyl benzyl carbinyl butyrate
 dimethyl hydroquinone
 diphenyl oxide
 ethyl cinnamate
 ethyl laurate
 fennel seed oil
 floral pyranol
 galbanum oil
 geraniol
 geranyl acetate
 grapefruit pentanol
 green acetate
 heliotropyl acetone
(Z)-3-hexen-1-ol
(Z)-3-hexen-1-yl acetate
(Z)-3-hexen-1-yl benzoate
(Z)-3-hexen-1-yl formate
(Z)-3-hexen-1-yl salicylate
(Z)-3-hexen-1-yl tiglate
 hexyl 2-methyl butyrate
alpha-hexyl cinnamaldehyde
 hexyl tiglate
 hyacinth ether
 ionones
2,4-ivy carbaldehyde
 leaf acetal
 leerall
 linalool
laevo-linalool
 linalool oxide
 mandarin oil
 melon heptenal
 melon nonenoate
 methyl dihydrojasmonate
 methyl heptenone
 mimosa absolute
 muguet octadienol
 nerol
 nerolidol
 neryl acetate
(E,Z)-2,6-nonadien-1-ol
(Z)-6-nonen-1-al
 ocean propanal
(Z)-5-octen-1-ol
 orris pyridine
 peony alcohol
 petitgrain oil
 phenethyl acetate
 phenethyl propionate
 phenyl acetaldehyde dimethyl acetal
3-phenyl propyl alcohol
 raspberry ketone methyl ether
 rhodinol
 rose butanoate
 rose oxides
 santall
 strawberry glycidate 1
 styralyl acetate
alpha-terpineol
 tetrahydrolinalool
 tetrahydromyrcenol
para-tolyl acetate
para-tolyl isobutyrate
para-tolyl methyl ether
para-tolyl phenyl acetate
 tuberose absolute
gamma-undecalactone
 verbena oil
 violet leaf absolute
 violet methyl carbonate
 woody amylene
 ylang ylang oil

(odor and/or flavor) used in :
 floral
 green
 ivy leaf
 woody

natural occurrence in :
not found in nature



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