pineapple heptadienone 10%
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IUPAC name :2-cyclohexyl-1,6-heptadien-3-one
InChI :InChI=1/C13H20O/c1-3-4-10-13(14)11(2)12-8-6-5-7-9-12/h3,12H,1-2,4-10H2
InChIKey :WJWBVJLPGOYBGM-UHFFFAOYAS
SMILES :O=C(CCC=C)C(=C)C1CCCCC1
cas number :313973-37-4
% from :10.00%
molar refractivity :59.33 ± 0.3 cm3
parachor :498.8 ± 6.0 cm3
index of refraction :1.475 ± 0.02
surface tension :31.7 ± 3.0 dyne/cm
density :0.914 ± 0.06 g/cm3
polarizability :23.52 ± 0.5 10-24cm3
molecular weight : 192.2973000 (IUPAC)
formula :C13 H20 O
NMR Predictor :Predict
 
 
IUPAC name :3-(3-hydroxypropoxy)propan-1-ol
InChI :InChI=1/C6H14O3/c7-3-1-5-9-6-2-4-8/h7-8H,1-6H2
InChIKey :SZXQTJUDPRGNJN-UHFFFAOYAD
SMILES :C(CO)COCCCO
cas number :25265-71-8
% from :90.00%
(EINECS) number :246-770-3
molar refractivity :35.66 ± 0.3 cm3
parachor :323.9 ± 4.0 cm3
index of refraction :1.450 ± 0.02
surface tension :39.8 ± 3.0 dyne/cm
density :1.040 ± 0.06 g/cm3
polarizability :13.74 ± 0.5 10-24cm3
XlogP : -0.70
molecular weight : 134.1735600 (IUPAC)
formula :C6 H14 O3
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
Suppliers :
Givaudan :Pharaone
10%/DPG
Odor:  Green, Pineapple, Fruity, Herbaceous
Vigon :Pharaone
10% DPG
organoleptics :
odor type :green
odor strength :high ,
recommend smelling in a 10.00 % solution or less
odor description:
at 10.00 % in dipropylene glycol.  		green pineapple fruity undecatriene galbanum
substantivity :196  Hour(s)
properties :
appearence :colorless to pale yellow clear liquid
assay : 10.00 to 100.00 %   
Food Chemicals Codex Listed :No
vapor pressure :0.02400 mm/Hg @ 20.00 °C.
flash point : 234.00  °F.  TCC  ( 112.22 °C. )
logP (o/w) : 3.52
safety :
most important hazard(s) :Xi N - Irritant, Dangerous for the environment.
  R 38 - Irritating to skin.
R 41 - Risk of serious damage to eyes.
R 51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
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 39 - Wear eye/face protection.
S 61 - Avoid release to the environment. Refer to special instructions/safety data sheet.
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 
safety in use :
 
recommendation for pineapple heptadienone 10% fragrance usage levels up to :
  2.5000 % in the fragrance concentrate.
recommendation for pineapple heptadienone 10% flavor usage levels up to :
 not for flavor use.
safety references :
EPI System :view
EPA Chem. Sub. Inventory : Yes
WISER :UN 3082
 
WGK Germany :2
 
 
 
 
2-cyclohexyl-1,6-heptadien-3-one
chemidplus :313973374
EPA Substance Registry Services :313973-37-4
 
 
 
3-(3-hydroxypropoxy)propan-1-ol
(EINECS) number :246-770-3
RTECS :UB8765000 for cas# 25265-71-8
chemidplus :025265718
EPA Substance Registry Services :25265-71-8
references :
 
2-cyclohexyl-1,6-heptadien-3-one
pubchem :3820690
 
3-(3-hydroxypropoxy)propan-1-ol
NIST Chemistry WebBook :64881945
pubchem :174790
other :
synonyms :
2-cyclohexyl-1,6-heptadien-3-one
 pharaone 10%
soluble in :
 alcohol
insoluble in :
 water
potential blenders :
isoamyl butyrateFL/FR
alpha-amyl cinnamaldehydeFL/FR
isoamyl isovalerateFL/FR
para-anisaldehydeFL/FR
 benzoin resinoidFL/FR
 benzyl acetateFL/FR
 bergamot oilFL/FR
 blood orange oilFL/FR
 caramel furanoneFL
 cardamom seed oilFL/FR
 citralFL/FR
 coriander seed oilFL/FR
 cyclamen aldehydeFL/FR
gamma-decalactoneFL/FR
 decanolFL/FR
 diethyl malonateFL/FR
 dihydromyrcenolFL/FR
 dimethyl benzyl carbinyl butyrateFL/FR
 dodecanalFL/FR
 ethyl acetoacetateFL/FR
 ethyl cinnamateFL/FR
 ethyl heptanoateFL/FR
 floral pyranolFR
 geraniolFL/FR
 green acetateFR
(Z)-3-hexen-1-yl acetateFL/FR
alpha-hexyl cinnamaldehydeFL/FR
 leerallFR
laevo-linaloolFL/FR
 linalool oxideFL/FR
 melon heptenalFL/FR
 methyl dihydrojasmonateFL/FR
2-methyl undecanalFL/FR
 musks 
beta-naphthyl ethyl etherFL/FR
(E,Z)-2,6-nonadien-1-olFL/FR
 nonanolFL/FR
 ocean propanalFL/FR
 orange oilFL/FR
 osmanthus absoluteFL/FR
 phenethyl isovalerateFL/FR
 phenethyl propionateFL/FR
 raspberry ketone acetateFL/FR
 rose butanoateFL/FR
 santallFR
 styralyl acetateFL/FR
alpha-terpineolFL/FR
alpha-terpinyl acetateFL/FR
 tetrahydrolinaloolFL/FR
para-tolyl aldehydeFL/FR
gamma-undecalactoneFL/FR
 violet leaf absoluteFL/FR
 ylang ylang oilFL/FR
potential uses :
 agrumen
 apple
 apple red apple
 apricot
 blueberry whortleberry red whortleberry
 bouquet
 bramble arctic bramble
 bubblegum
 chamomile
 christmas blends
 chypre
 citrus
 cloudberry bakeapple
 coconut tropical coconut
 fern fougere
 fig
 floral
 fruit
 fruit jam
 fruit juicy fruit
 fruit punch
 fruit tropical fruit
 galbanum
 green
 herbal
 honeysuckle chevrefeuille
 jasmin
 lavender
 lilac lilas syringa
 mango
 natural
 papaya
 passion fruit
 pina colada
 pineapple
 plum greengage plum
 plum mirabelle plum
 pomegranate
 quince
 raspberry
 rose
 spice
 strawberry
 tomato
 tropical
 tutti frutti
 woody
natural occurrence in :
 not found in nature  



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