freesia acetate
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IUPAC name :[4-(4-methylpent-3-enyl)-1-cyclohex-3-enyl]methyl acetate
InChI :InChI=1/C15H24O2/c1-12(2)5-4-6-14-7-9-15(10-8-14)11-17-13(3)16/h5,7,15H,4,6,8-11H2,1-3H3
InChIKey :HTQLNWONIAXQKC-UHFFFAOYAR
SMILES :CC(=CCCC1=CCC(CC1)COC(=O)C)C
cas number :53889-39-7
(EINECS) number :258-840-0
molar refractivity :70.76 ± 0.3 cm3
parachor :592.5 ± 6.0 cm3
index of refraction :1.472 ± 0.02
surface tension :30.4 ± 3.0 dyne/cm
density :0.936 ± 0.06 g/cm3
polarizability :28.05 ± 0.5 10-24cm3
XlogP : 4.10
molecular weight : 236.3498600 (IUPAC)
formula :C15 H24 O2
NMR Predictor :Predict
 
 
IUPAC name :[(1S)-3-(4-methylpent-3-enyl)-1-cyclohex-3-enyl]methyl acetate
InChI :InChI=1/C15H24O2/c1-12(2)6-4-7-14-8-5-9-15(10-14)11-17-13(3)16/h6,8,15H,4-5,7,9-11H2,1-3H3/t15-/m0/s1
InChIKey :IIUKCYITROTKFB-HNNXBMFYBB
SMILES :CC(=CCCC1=CCC[C@@H](C1)COC(=O)C)C
cas number :72403-67-9
(EINECS) number :276-650-6
molar refractivity :70.76 ± 0.3 cm3
parachor :592.5 ± 6.0 cm3
index of refraction :1.472 ± 0.02
surface tension :30.4 ± 3.0 dyne/cm
density :0.936 ± 0.06 g/cm3
polarizability :28.05 ± 0.5 10-24cm3
XlogP : 4.10
molecular weight : 236.3498600 (IUPAC)
formula :C15 H24 O2
NMR Predictor :Predict
 
 
export tariff code :2915.39.9050
fda reg :unspecified
Suppliers :
Givaudan :Myraldyl Acetate
Odor:  Flowery, Jasmine, Sweet, Fruity, Green
The diffusive jasmine/muguet odour of Myraldyl Acetate gives an exceptionally full bodied,floral character to compositions and blends perfectly with almost all accords. Its good stability and long lasting qualities, combined with its original floral character, make this ingredient an attractive choice for soap and detergent perfumery.
Penta :myraldyl acetate
organoleptics :
odor type :floral
odor strength :medium
odor description:
at 100.00 %.  		fresh lily magnolia sweet citrus freesia green
Luebke, William tgsc, (1988)
odor sample from :Givaudan Corporation
substantivity :64  Hour(s)
properties :
appearence :colorless to pale yellow clear liquid
assay : 97.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
boiling point : 303.00 to 304.00 °C. @ 760.00 mm Hg
vapor pressure :0.00130 mm/Hg @ 20.00 °C.
flash point :> 212.00  °F.  TCC  ( > 100.00 °C. )
logP (o/w) : 5.18
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    4000.00  mg/kg

Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :fragrance agents
 
recommendation for freesia acetate fragrance usage levels up to :
  20.0000 % in the fragrance concentrate.
recommendation for freesia acetate flavor usage levels up to :
 not for flavor use.
safety references :
EPI System :view
 
WGK Germany :2
 
 
 
 
[4-(4-methylpent-3-enyl)-1-cyclohex-3-enyl]methyl acetate
(EINECS) number :258-840-0
chemidplus :053889397
EPA Substance Registry Services :53889-39-7
 
 
 
[(1S)-3-(4-methylpent-3-enyl)-1-cyclohex-3-enyl]methyl acetate
(EINECS) number :276-650-6
chemidplus :072403679
EPA Substance Registry Services :72403-67-9
references :
 
[4-(4-methylpent-3-enyl)-1-cyclohex-3-enyl]methyl acetate
pubchem :681291
 
[(1S)-3-(4-methylpent-3-enyl)-1-cyclohex-3-enyl]methyl acetate
pubchem :3888392
Cosmetics :
Cosmetic uses : perfuming agents
other :
CosIng :cosmetic data
synonyms :
 freesia acetate
3(or 4)-(4-methyl penten-3-yl) cyclohex-3-ene-1-methyl acetate
 methyl pentenyl cyclohexene-1-methyl acetate
3(or 4)-(4-methyl-3-pentenyl)-3-cyclohexen-1-yl) methyl acetate
3(or 4)-(4-methyl-3-pentenyl)-3-cyclohexene-1-methanol acetate
[4-(4-methylpent-3-enyl)-1-cyclohex-3-enyl]methyl acetate
 myraldyl acetate
soluble in :
 alcohol
insoluble in :
 water
stability :
 alcoholic, good
 antiperspirant spray, moderate
 liquid bleach, poor
 ph = 10, moderate
 ph = 2, moderate
 powder detergent, good
 soap, good
 toiletry, good
potential blenders :    note
 acetal 318FR
isoamyl 3-(2-furan) propionateFL/FR
 amyl angelateFL
isoamyl angelateFL/FR
 amyl benzoateFL/FR
alpha-amyl cinnamaldehydeFL/FR
alpha-amyl cinnamaldehyde dimethyl acetalFL/FR
alpha-amyl cinnamyl acetateFL/FR
alpha-amyl cinnamyl alcoholFL/FR
 benzyl acetateFL/FR
 benzyl acetoacetateFL/FR
 benzyl acetoneFL/FR
 benzyl anthranilateFL/FR
 benzyl cinnamateFL/FR
 benzyl formateFL/FR
 benzyl phenyl acetateFL/FR
 benzyl propionateFL/FR
 boronia butenalFR
alpha-butyl cinnamaldehydeFL/FR
 butyl undecylenateFL/FR
 chamomile valerateFR
 cinnamyl formateFL/FR
 citronellyl acetateFL/FR
 citronellyl ethoxalateFR
 citronellyl propionateFL/FR
 citrus ocimenolFR
 clary propyl acetateFR
para-cresyl isobutyrateFL/FR
para-cresyl phenyl acetateFL/FR
para-cresyl propionaldehydeCS
 cumin carbinolFR
 cyclamen aldehyde / methyl anthranilate schiff's baseFR
 cyclohexyl ethyl alcoholFL/FR
3-decanoneFL/FR
2-decen-1-alFL/FR
2,4-difurfuryl furanFL
 dimethyl benzyl carbinolFL/FR
 dimethyl benzyl carbinyl acetateFL/FR
 dimethyl benzyl carbinyl butyrateFL/FR
 dimethyl benzyl carbinyl formateFL/FR
6,8-dimethyl-2-nonanolFR
(E+Z)-4,8-dimethyl-3,7-nonadien-2-oneFL
 eriocephalus punctulatus oil 
 ethyl methyl-para-tolyl glycidateFL/FR
(E,E)-farnesolFL/FR
 floral butanalFR
 gardenia decaloneFR
 geraniolFL/FR
 geranium oilFL/FR
 geranyl acetoneFL/FR
 geranyl isobutyrateFL/FR
 grapefruit pentanolFR
2-heptanolFL/FR
(E,E)-2,4-hexadien-1-alFL/FR
(Z)-3-hexen-1-yl salicylateFL/FR
 hexoxyacetaldehyde dimethyl acetalFR
alpha-hexyl cinnamaldehydeFL/FR
2-hexyl-4-acetoxytetrahydrofuranFL
 hydroxycitronellalFL/FR
 hydroxycitronellal / methyl anthranilate schiff's baseFR
 hydroxycitronellal diethyl acetalFL/FR
 hydroxycitronellal dimethyl acetalFL/FR
 hydroxycitronellolFL/FR
 ivy dioxolaneFR
 jasmin absoluteFL/FR
 jasmin absolute concrete indiaFL/FR
 jasmin absolute concrete italyFL/FR
 jasmin absolute pommadeFL/FR
 jasmin acetateFL/FR
 jasmin cyclopentanolFR
 jasmin pyranolFR
 jasmin sambac absolute egyptFL/FR
para-jasmoneFR
 leerall / methyl anthranilate schiff's baseFR
 lily pentanalFR
 lily propanolFR
 lilyall / methyl anthranilate schiff's baseFR
 linalyl benzoateFL/FR
 linalyl cinnamateFL/FR
 linalyl propionateFL/FR
 magnolia decadienalFR
 mandarin oil uruguayFL/FR
 menthadienyl formateFR
3-mercaptohexyl acetateFL
 methoxycitronellalFR
 methoxymelonalFR
 methyl benzyl acetate (mixed ortho-,meta-,para-)FL/FR
 methyl cyclogeranateFR
 methyl dihydrojasmonateFL/FR
para-methyl hydratropaldehydeFL/FR
2-methyl octanalFL/FR
 methyl octine carbonateFL/FR
 mimosa absoluteFL/FR
 muguet carbaldehydeFR
 muguet carbinolFL/FR
 muguet nitrileFR
 muguet octadienolFR
 muguet propanolFR
 muguet shiseolFL/FR
 muguet undecadienalFR
 neroli oilFL/FR
 nerolidolFL/FR
 nonanalFL/FR
 octanal dimethyl acetalFL/FR
 orange leaf absoluteFL/FR
 ozone propanalFR
 papaya isobutyrateFL/FR
 penten-1-yl cyclopentanoneFR
 petitgrain lemon oilFL/FR
 phenethyl isobutyrateFL/FR
 phenethyl isovalerateFL/FR
2-phenyl propionaldehyde ethylene glycol acetalFR
1-phenyl propyl butyrateFL/FR
 rhubarb pyranFR
 rose butanoateFL/FR
 styralyl butyrateFL/FR
alpha-terpineolFL/FR
alpha-terpinyl anthranilateFL/FR
 tetrahydrolinaloolFL/FR
 tetrahydromyrcenolFR
 tricyclodecenyl acetateFR
 undecanal dimethyl acetalFR
 undecanolFL/FR
 ylang ylang oilFL/FR
potential uses :
 citrus
 floral
 freesia
 fruit
 gardenia
 green
 herbal
 jasmin
 lily
 muguet lily of the valley
 sandalwood
natural occurrence in :    note
 not found in nature  

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