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
formula :C15 H24 O2
 

 
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
formula :C15 H24 O2
 

 
export tariff code :2915.39.9050
fda reg :unspecified

Suppliers :
Givaudan :Myraldyl Acetate
Odor:  Flowery, Jasmine, Sweet, Fruity, Green
Penta :myraldyl acetate

organoleptics :
odor type :floral
odor strength :medium
odor description :¹
at 100.00 %.  
fresh lily magnolia sweet citrus freesia green
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 :
 
recommendation for freesia acetate usage levels up to :
  20.0000 % in the fragrance concentrate.
recommendation for freesia acetate 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 :
reference : Luebke, William tgsc, (1988)¹
CosIng :cosmetic data
synonyms :
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

(odor and/or flavor) blends with :
 acetal 318
isoamyl 3-(2-furan) propionate
 amyl angelate
isoamyl angelate
 amyl benzoate
alpha-amyl cinnamaldehyde
alpha-amyl cinnamaldehyde dimethyl acetal
alpha-amyl cinnamyl acetate
alpha-amyl cinnamyl alcohol
 benzyl acetate
 benzyl acetoacetate
 benzyl acetone
 benzyl anthranilate
 benzyl cinnamate
 benzyl formate
 benzyl phenyl acetate
 benzyl propionate
 boronia butenal
alpha-butyl cinnamaldehyde
 butyl undecylenate
 chamomile valerate
 cinnamyl formate
 citronellyl acetate
 citronellyl ethoxalate
 citronellyl propionate
 citrus ocimenol
 clary propyl acetate
para-cresyl isobutyrate
para-cresyl phenyl acetate
para-cresyl propionaldehyde
 cumin carbinol
 cyclamen aldehyde / methyl anthranilate schiff's base
 cyclohexyl ethyl alcohol
3-decanone
2-decen-1-al
2,4-difurfuryl furan
 dimethyl benzyl carbinol
 dimethyl benzyl carbinyl acetate
 dimethyl benzyl carbinyl butyrate
 dimethyl benzyl carbinyl formate
6,8-dimethyl-2-nonanol
(E+Z)-4,8-dimethyl-3,7-nonadien-2-one
 eriocephalus punctulatus oil
 ethyl methyl-para-tolyl glycidate
(E,E)-farnesol
 floral butanal
 gardenia decalone
 geraniol
 geranium oil
 geranyl acetone
 geranyl isobutyrate
 grapefruit pentanol
2-heptanol
(E,E)-2,4-hexadien-1-al
(Z)-3-hexen-1-yl salicylate
 hexoxyacetaldehyde dimethyl acetal
alpha-hexyl cinnamaldehyde
2-hexyl-4-acetoxytetrahydrofuran
 hydroxycitronellal
 hydroxycitronellal / methyl anthranilate schiff's base
 hydroxycitronellal diethyl acetal
 hydroxycitronellal dimethyl acetal
 hydroxycitronellol
 ivy dioxolane
 jasmin absolute
 jasmin absolute concrete india
 jasmin absolute concrete italy
 jasmin absolute pommade
 jasmin acetate
 jasmin cyclopentanol
 jasmin pyranol
 jasmin sambac absolute egypt
para-jasmone
 leerall / methyl anthranilate schiff's base
 lily pentanal
 lily propanol
 lilyall / methyl anthranilate schiff's base
 linalyl benzoate
 linalyl cinnamate
 linalyl propionate
 magnolia decadienal
 mandarin oil uruguay
 menthadienyl formate
3-mercaptohexyl acetate
 methoxycitronellal
 methoxymelonal
 methyl benzyl acetate (mixed ortho-,meta-,para-)
 methyl cyclogeranate
 methyl dihydrojasmonate
para-methyl hydratropaldehyde
2-methyl octanal
 methyl octine carbonate
 mimosa absolute
 muguet carbaldehyde
 muguet carbinol
 muguet nitrile
 muguet octadienol
 muguet propanol
 muguet shiseol
 muguet undecadienal
 neroli oil
 nerolidol
 nonanal
 octanal dimethyl acetal
 orange leaf absolute
 ozone propanal
 papaya isobutyrate
 penten-1-yl cyclopentanone
 petitgrain lemon oil
 phenethyl isobutyrate
 phenethyl isovalerate
2-phenyl propionaldehyde ethylene glycol acetal
1-phenyl propyl butyrate
 rhubarb pyran
 rose butanoate
 styralyl butyrate
alpha-terpineol
alpha-terpinyl anthranilate
 tetrahydrolinalool
 tetrahydromyrcenol
 tricyclodecenyl acetate
 undecanal dimethyl acetal
 undecanol
 ylang ylang oil

(odor and/or flavor) used in :
 citrus
 floral
 freesia
 fruit
 gardenia
 green
 herbal
 jasmin
 lily
 muguet lily of the valley
 sandalwood

natural occurrence in :
not found in nature



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