(±)-alpha-terpinyl acetate
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :2-(4-methyl-1-cyclohex-3-enyl)propan-2-yl acetate
InChI :InChI=1/C12H20O2/c1-9-5-7-11(8-6-9)12(3,4)14-10(2)13/h5,11H,6-8H2,1-4H3
InChIKey :IGODOXYLBBXFDW-UHFFFAOYAB
SMILES :CC1CCC(C=C1)(C(C)C)OC(=O)C
(EINECS) number :201-265-7
cas number :80-26-2
beilstein number :3198769
fema number :3047
coe number :205
fl. number :09.015
molar refractivity :57.29 ± 0.4 cm3
parachor :486.4 ± 6.0 cm3
index of refraction :1.467 ± 0.03
surface tension :30.8 ± 5.0 dyne/cm
density :0.95± 0.1 g/cm3
polarizability :22.71 ± 0.5 10-24cm3
xlogp : 3.10
molecular weight : 196.2860000
formula :C12 H20 O2
 
 
InChI :InChI=1/C12H20O2/c1-9(2)11-5-7-12(4,8-6-11)14-10(3)13/h11H,1,5-8H2,2-4H3/t11-,12+
InChIKey :URVNHQCLMBMWIW-HAQNSBGRBY
SMILES :O=C(O[C@]1(CC[C@@H](\C(=C)C)CC1)C)C
(EINECS) number :261-828-8
cas number :59632-85-8
molar refractivity :56.94 ± 0.4 cm3
parachor :486.2 ± 6.0 cm3
index of refraction :1.460 ± 0.03
surface tension :30.0 ± 5.0 dyne/cm
density :0.94 ± 0.1 g/cm3
polarizability :22.57 ± 0.5 10-24cm3
xlogp : 3.30
molecular weight : 196.2860000
formula :C12 H20 O2
 
 
InChI :InChI=1/C12H20O2/c1-9(2)11-5-7-12(4,8-6-11)14-10(3)13/h11H,1,5-8H2,2-4H3/t11-,12-
InChIKey :URVNHQCLMBMWIW-TXEJJXNPBH
SMILES :O=C(O[C@@]1(CC[C@@H](\C(=C)C)CC1)C)C
(EINECS) number :244-028-3
cas number :20777-47-3
molar refractivity :56.94 ± 0.4 cm3
parachor :486.2 ± 6.0 cm3
index of refraction :1.460 ± 0.03
surface tension :30.0 ± 5.0 dyne/cm
density :0.94 ± 0.1 g/cm3
polarizability :22.57 ± 0.5 10-24cm3
xlogp : 3.30
molecular weight : 196.2860000
formula :C12 H20 O2
 
 
IUPAC name :(1-methyl-4-propan-2-ylidenecyclohexyl) acetate
InChI :InChI=1/C12H20O2/c1-9(2)11-5-7-12(4,8-6-11)14-10(3)13/h5-8H2,1-4H3
InChIKey :ZKKBZSOYCMSYRW-UHFFFAOYAH
SMILES :CC(=C1CCC(CC1)(C)OC(=O)C)C
(EINECS) number :233-564-3
cas number :10235-63-9
molar refractivity :56.87 ± 0.4 cm3
parachor :483.0 ± 6.0 cm3
index of refraction :1.467 ± 0.03
surface tension :30.8 ± 5.0 dyne/cm
density :0.95 ± 0.1 g/cm3
polarizability :22.54 ± 0.5 10-24cm3
xlogp : 2.70
molecular weight : 196.2860000
formula :C12 H20 O2
 
 
fda reg :172.515 h. number :2915.39.9050
organoleptics : 
odor type :herbal
odor strength :medium
odor description :
at 100.00 %.  
herbal lavender lime citrus
taste description³ :at 12.50 ppm.  
Woody, citrus, spicy, floral, grapefruit and seedy
substantivity :20  Hour(s)
properties : 
appearence :colorless clear liquid
assay : 96.00 - 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :0.95400 - 0.96200 @ 25.00 °C.
pounds per gallon - calc. : 7.938 to 8.005
specific gravity :0.95500 - 0.96300 @ 20.00 °C.
pounds per gallon - calc. : 7.956 to 8.022
refractive index :1.46300 - 1.46700 @ 20.00 °C.
boiling point : 220.00 °C. @ 760.00 mm Hg
acid value : 1.00  max.  KOH/g
logp : 3.98
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
  
Oral Toxicity(LD50) : Oral-Rat    5075.00  mg/kg  FCTXAV  2,327,1964
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 211.00  °F.  TCC  ( 99.44 °C. )
  
recommendation for (±)-alpha-terpinyl acetate usage levels up to :
  10.0000 % in the fragrance concentrate.
  
recommendation for (±)-alpha-terpinyl acetate usage levels up to :
  260.0000 ppm in the flavor.
  
safety links : 
msds :msds
  
(EINECS) number :201-265-7
rtecs :OT0200000 for 80-26-2
chemidplus :008007350
epa-srs :80-26-2
  
(EINECS) number :261-828-8
chemidplus :059632858
epa-srs :59632-85-8
  
(EINECS) number :244-028-3
chemidplus :020777473
epa-srs :20777-47-3
  
(EINECS) number :233-564-3
chemidplus :010235639
epa-srs :10235-63-9
  
other : 
  C of A
references : 
pubchem :688299
NIST Chemistry WebBook :2687434629
  
pubchem :678502
  
pubchem :665495
  
pubchem :659404
  
reference : Mosciano, Gerard P&F 22, No. 4, 75, (1997)³
synonyms :
 lindenyl acetate
para-menth-1-en-8-ol acetate
para-menth-1-en-8-yl acetate
1-methyl-1-(4-methyl cyclohex-3-enyl) ethyl ethanoate
alpha-terpineol acetate
(±)-alpha-terpinyl acetate
(±)-alpha,alpha,4-trimethyl cyclohex-3-ene-1-methyl acetate
(1)-alpha,alpha,4-trimethyl cyclohex-3-ene-1-methyl acetate
alpha,alpha,4-trimethyl-3-cyclohexene-1-methanol acetate
soluble in :
 alcohol
 fixed oils
 kerosene
 paraffin oil
 propylene glycol
insoluble in :
 water
stability :
 alcoholic lotion
 antiperspirant
 deo stick
 detergent perborate
 fabric softener
 hard surface cleaner
 liquid detergent
 non-discoloring in most media
 shampoo
 soap
(odor and/or flavor) blends with :
 allyl amyl glycolate
 allyl cyclohexyl propionate
isoamyl acetate
isoamyl benzoate
alpha-amyl cinnamaldehyde
isoamyl salicylate
para-anisaldehyde
para-anisyl acetate
para-anisyl alcohol
 benzyl acetate
 benzyl isobutyrate
 benzyl propionate
 bergamot oil
 blood orange oil
 bois de rose oil
 cinnamyl alcohol
 citral
 citronellyl acetate
 citrus carbaldehyde
 clary sage oil
 clover nitrile
 coriander seed oil
 cyclamen aldehyde
 cyclohexyl ethyl alcohol
 decanal
 diethyl malonate
 dihydromyrcenol
 dodecanal
 ethyl acetoacetate
 ethyl butyrate
 ethyl cinnamate
 ethyl heptanoate
 ethyl vanillin
 fir balsam absolute
 fir needle oil
 floral pyranol
 frankincense oil
 galbanum oil
 geraniol
 geranyl acetate
 grapefruit pentanol
 green acetate
 heliotropin
(Z)-3-hexen-1-yl acetate
(Z)-3-hexen-1-yl salicylate
 hexyl acetate
alpha-hexyl cinnamaldehyde
 ho leaf oil
 hyacinth ether
 ionones
 leaf acetal
 leerall
 lemon oil
 lemongrass oil
 lime oil
 linalool
laevo-linalool
 linalool oxide
 linalyl acetate
 methyl benzoate
 methyl dihydrojasmonate
 methyl heptenone
 muguet octadienol
 nerol
 neryl acetate
 nonanal
 nonanol
 nopyl acetate
 ocean propanal
 orange oil
 petitgrain oil
 phenethyl acetate
 phenethyl alcohol
 rose butanoate
 santall
 strawberry glycidate 1
 styralyl acetate
alpha-terpineol
 tetrahydrolinalool
 tetrahydromyrcenol
gamma-undecalactone
 vanilla absolute
 verbena oil
 woody acetate
 woody amylene
(odor and/or flavor) used in :
 almond
 apricot
 bergamot
 cajuput
 cardamom
 cherry
 citrus
 cologne
 currant black currant
 cypress
 evergreen
 fern fougere
 fresh
 gooseberry
 grapefruit
 jicky
 lavender
 lemon
 lime
 niaouli
 orange
 orange bitter orange
 peach
 pine needle
 plum
 plum greengage plum
 plum mirabelle plum
 presence
 rain spring rain
 raspberry
 sage
 seedy
 tide
natural occurrence in :
data pagearmoise oil morocco @ 0.1%
data pageartemisia deserti krasch. oil iran @ 0.30%
data pagebasil oil sweet poland @ 0.85%
data pagebergamot oil @ 0.071-0.263%
data pageblood orange oil (citrus sinensis l. var. sanguinello) italy @ 0.006%
data pageblood orange oil (citrus sinensis l. var. tarocco) italy @ 0.003%
data pageblood orange oil italy @ 0.004%
cajuput
cardamom
data pagecardamom oil CO2 extract guatemala @ 40.90%
data pagecardamom seed oil @ 24.60%
data pagecarrot seed oil spain @ 0.03-0.08%
data pagecarrot weed oil @ 5.33%
data pagecascarilla bark oil @ 0.16%
data pagecassis bud oil @ trace-0.40%
data pagecedarleaf oil canada @ 0.15-0.40%
data pagecitronella oil ceylon @ 0.01%
data pagecitronella oil china @ 0.23%
data pagecitronella oil java @ 0.16%
data pageclary sage oil france @ trace%
data pageclary sage oil sardinia @ 22.10%
clove bud
data pagecrithmum maritimum l. oil turkey @ <0.10%
currant black currant
cypress
data pagecypress cone oil egypt @ 2.2%
data pagecypress oil @ 4.10-6.47%
erigeron
data pageeucalyptus camaldulensis dehnh. leaf oil ethiopia @ 12.20%
data pageeucalyptus globulus oil rwanda @ 3.10%
data pageeucalyptus tereticornis smith leaf oil ethiopia @ 1.30%
data pageeucalyptus urophylla s.t. blake leaf oil ethiopia @ 11.60%
data pagegrapefruit oil c.p. @ 0.01%
data pagegrapefruit oil c.p. @ trace%
data pagegrapefruit oil c.p. @ trace%
data pagegrapefruit oil c.p. italy @ 0.04%
data pagegrapefruit oil CO2 extract @ 0.02%
data pagehinoki leaf oil @ 9.09%
data pagehinoki root oil @ 0.79%
data pagehinoki wood oil @ 0.19%
data pageho leaf oil @ 0.18%
data pagejuniper branch oil @ 0.10%
data pagejuniper needle oil @ <0.10%
data pagelaurel bark oil @ 17.3%
data pagelaurel berry oil @ 18.2%
data pagelaurel leaf oil @ 16.8%
data pagelaurel leaf oil turkey @ 9.80%
data pagelaurel stem oil @ 20.5%
data pagelaurel wood oil @ 44.8%
data pagelayana oil kenya @ 0.94%
data pagelime oil CO2 extract mexico @ 0.15%
data pagelovage flower oil @ 4.70%
data pagelovage leaf oil @ 2.60%
data pagelovage root oil @ 0.22%
data pagelovage seed oil @ 0.80%
mace
data pagemace oil CO2 extract @ 0.10%
data pagemandarin oil uruguay @ trace%
data pagemanuka var. rotundifolium oil australia @ 1.30%
melaleuca
data pagemyrtle oil @ 1.37%
data pageneroli bigarde oil france @ trace%
data pageneroli oil CO2 extract @ 0.14%
data pagenutmeg flower oil @ 0.64%
data pagenutmeg leaf oil @ 0.02-0.47%
data pagenutmeg oil india @ 0.14%
orange peel bitter
data pageorange peel oil bitter italy @ 0.03%
data pageorange peel oil sweet c.p. blond italy @ 0.002%
data pageorange peel oil sweet c.p. blond italy @ 0.003%
data pageorange peel oil sweet c.p. blond italy @ 0.003%
data pageorange peel oil sweet c.p. blond italy @ 0.004%
data pageorange peel oil sweet c.p. blond italy @ 0.006%
orange peel sweet
data pageparsley leaf oil @ trace%
pepper
data pagepetitgrain lemon oil @ 7.30%
data pagepetitgrain oil @ 0.10%
data pagepetitgrain sweet oil @ 0.12%
data pagepine needle oil scotch siberia @ 0.3-0.5%
data pagepteronia oil @ 0.80%
data pagerosemary oil egypt @ 0.36%
sage
data pagesage oil reunion @ trace%
data pagesage oil sardinia @ 0.50%
data pagesage oil spain @ 0.20%
data pagesage oil spain @ 5.8%
data pagesavin oil @ 4.80%
data pageskimmia laureola oil @ 0.9%
data pagethyme oil wild or creeping canada @ 9.60%
data pagevalerian root oil CO2 extract china @ 0.62%
data pagewormwood oil cuba @ 0.09%



Please share your Information / Comments.

Your email Address:



Top of Page          The Good Scents Company Home

Copyright © 1980-2008 The Good Scents Company Disclaimer Privacy Policy
Html Last modified 06/12/2008