beta-sesquiphellandrene
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Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :3-[(2S)-6-methylhept-5-en-2-yl]-6-methylidenecyclohexene
InChI :InChI=1/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8,10,14-15H,3,5,7,9,11H2,1-2,4H3/t14-,15u/m0/s1
InChIKey :PHWISBHSBNDZDX-MLCCFXAWBV
SMILES :C[C@@H](CCC=C(C)C)C1CCC(=C)C=C1
cas number :20307-83-9
molar refractivity :68.53 ± 0.4 cm3
parachor :554.1 ± 6.0 cm3
index of refraction :1.482 ± 0.03
surface tension :28.3 ± 5.0 dyne/cm
density :0.85 ± 0.1 g/cm3
polarizability :27.17 ± 0.5 10-24cm3
XlogP : 4.70
molecular weight : 204.3510600
formula :C15 H24
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified

organoleptics :
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description :
at 100.00 %.  
herbal fruity woody

properties :
appearence :colorless to pale yellow clear liquid
assay : 96.00 to 100.00 %   
Food Chemicals Codex Listed :No
boiling point : 270.00 to 272.00 °C. @ 760.00 mm Hg
flash point : 226.00  °F.  TCC  ( 107.78 °C. )
logP (o/w) : 6.52

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

safety in use :
 
recommendation for beta-sesquiphellandrene usage levels up to :
  3.0000 % in the fragrance concentrate.

safety references :
EPI System :view
 
 
 
 3-[(2S)-6-methylhept-5-en-2-yl]-6-methylidenecyclohexene
chemidplus :020307839
EPA Substance Registry Services :20307-83-9

references :
 3-[(2S)-6-methylhept-5-en-2-yl]-6-methylidenecyclohexene
NIST Chemistry WebBook :20307839
pubchem :39294549

other :
VCF-Online: VCF Volatile Compounds in Food
synonyms :
(S-(R*,S*))-3-(1,5-dimethyl-4-hexenyl)-6-methylene cyclohexene
(R)-3-methylene-6-((S)-6-methyl hept-5-en-2-yl) cyclohex-1-ene
3-[(2S)-6-methylhept-5-en-2-yl]-6-methylidenecyclohexene

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) blends with :
alpha-amyl cinnamaldehyde
 amyl furoate
isoamyl heptanoate
isoamyl salicylate
 anise indene
para-anisyl propionate
 benzyl acetone
 benzyl methyl tiglate
3-benzyl-4-heptanone
isoborneol
 bornyl 2-methyl butyrate
isobornyl acetate
 bornyl butyrate
 boronia absolute
beta-bourbonene
 butyl heptanoate
isobutyl heptanoate
 butyl levulinate
isobutyl methyl ketone
 butyl tiglate
delta-cadinene
gamma-cadinene
alpha-cadinol
 camphene
(+)-camphene
dextro-camphor
 cassis methanol
 chamomile propionate
 chamomile valerate
 cinnamon acrolein
 cistus oil
 clove bud oil
 coriander oleoresin
 cuminyl acetate
 currant bud absolute black
isocyclocitral
2-decalinyl acetate
8,9-dehydrotheaspirone
 diethyl malate
N,N-diethyl octanamide
 dihydroactinidolide
 dimethyl benzyl carbinyl butyrate
 ethyl 4-pentenoate
 fir carboxylate
 fusel oil
 geranyl tiglate
 green acetate
 herbal undecanone
(E)-2-hexenoic acid
 hexyl pivalate
 hexyl tiglate
 immortelle flower oil
beta-ionone
 jasmin absolute
(Z)-jasmone
 karo karounde absolute
 lavender oil france
 lavender oil greece
 linalool oxide acetates
 linalyl octanoate
 marine formate
para-menth-1-ene-9-ol
 menthadienyl formate
1-para-menthen-9-yl acetate
 menthone-8-thioacetate
 methyl benzyl acetate (mixed ortho-,meta-,para-)
2-methyl butyl isovalerate
2-methyl butyl salicylate
 methyl cyclogeranate
 methyl hexyl ether
 methyl hexyl ketone
para-methyl hydratropaldehyde
N-methyl ionone
alpha-isomethyl ionone (90% min.)
1-methyl pyrrole
2-methyl-2-pentenoic acid
gamma-muurolene
 myrtenyl acetate
 myrtenyl isobutyrate
 nonan-3-yl acetate
3-nonanone
 nonisyl acetate
 nonisyl propionate
3-octanon-1-ol
 orris capronate
 parsley leaf oil
 patchouli absolute
 patchouli indene
 pennyroyal oil
 petitgrain bigarade oil
 petitgrain lemon oil
 polylimonene
 prenyl salicylate
4-isopropyl-2-cyclohexenone
 rose undecene
 rue flower oil colombia
 rue oil
 spathulenol
 spruce oil
 tagete flower oil rwanda
 tagete oil
 tagete oil CO2 extract
 tagete oil turkey
 tagete oil zambia
 tansy leaf oil dutch
 tea leaf absolute
 thyme oil wild or creeping
 tricyclodecenyl propionate
 viridiflorol
 woody ketone

(odor and/or flavor) used in :
 amber
 ambergris
 ambreine
 amyris
 angelica
 apple
 apple crabapple
 apple green apple
 apple red apple
 apricot
 apricot brandy
 arnica
 arrack
 ash mountain ash
 ash mountain ash berry
 banana
 banana quana banana
 bark
 basil
 bay
 bayberry
 beech wood tar
 benzoin
 bergamot
 berry
 berry jam
 birch tar
 blackberry
 blue grass
 blueberry
 blueberry whortleberry red whortleberry
 bois de rose rosewood
 boronia
 boxwood
 boxwoodberry
 boysenberry
 bramble arctic bramble blackberry
 briar sweet briar eglantine
 broom genet genista
 bubblegum
 buchu
 cabreuva
 cade
 cajuput
 calamus
 camphor
 capsicum
 caraway
 cardamom
 carrot
 carrot seed
 cascarilla
 cassie acacia farnesiana
 cassis black currant bud
 cedar
 cedar forest
 cedarwood
 cedarwood atlas
 celery
 chamomile
 cherry
 cherry black cherry
 cherry maraschino cherry
 cherry wild cherry
 chervil
 chrysanthemum chrysantheme
 cider
 cigar box
 cilantro
 cistus
 citronella
 clary sage
 cloudberry bakeapple
 coriander
 costus
 cranberry
 cubeb
 currant
 currant black currant
 currant red currant
 cypress
 date
 davana
 deertongue
 dill
 dogwood
 durian
 elder blossom
 elderberry
 elemi
 estragon
 eucalyptus
 fennel
 fern fougere
 fig
 flouve
 forest
 forest pine forest
 fruit
 fruit dried fruit
 fruit jam
 fruit juicy fruit
 fruit punch
 fruit tropical fruit
 galanga
 galbanum
 gin
 ginger
 ginger white ginger
 gingergrass
 gooseberry
 grape
 grape concord grape
 grape white grape
 grass sweet grass
 guaiacwood
 guava
 gurjun
 hay new mown hay foin coupe
 heather
 herbal
 hibiscus
 hinoki
 hollyberry
 hops houblon
 huckleberry bilberry
 hyssop
 immortelle helichrysum everlasting
 iris blossom
 ivy leaf
 jackfruit
 jam
 juniper
 juniperberry
 kiwi
 labdanum
 lavandin
 lavender
 lavender spike lavender
 lavender water
 loganberry dewberry
 lovage
 lychee soapberry
 mace
 maja
 mango
 marigold tagete
 marjoram
 mate
 meadow
 melissa balm
 melon
 melon honeydew
 melon watermelon
 melon watermelon muskmelon cantaloupe
 mimosa wattle
 mulberry
 myrtle
 niaouli
 oakwood
 olibanum frankincense
 opoponax
 orange bitter orange
 oregano
 orris iris
 osmanthus
 papaya
 parsley
 parsnip
 passion blossom
 passion fruit
 patchouli
 peach
 pear
 pear bartlett pear
 pear emperor pear
 pine dwarf pine
 pine needle
 pine scotch pine
 pineapple
 pinon cone
 plum
 plum greengage plum
 plum jam
 plum mirabelle plum
 pomegranate
 prune
 quince
 raisin
 raspberry
 raspberry black raspberry
 raspberry green raspberry
 raspberry jam
 raspberry red raspberry
 redwood
 reseda mignonette
 ripe
 rose wild rose
 rosemary
 rue
 saffron
 sandalwood
 savin
 spikenard
 spruce
 starfruit
 strawberry
 strawberry jam
 tamarind
 tansy tanaisie
 tarragon
 tea
 tea black tea
 tea china tea
 tea green tea
 tea herbal tea
 tea lemon tea
 thyme
 timber
 tolu balsam
 tutti frutti
 valerian
 vetiver
 witch hazel
 woodruff asperula
 woody
 wormseed chenopodium
 wormwood absinthium
 yew

natural occurrence in :
data pagealpinia galanga oil @ 1.60%
data pageboronia absolute @ 0.02%
data pagecajuput oil vietnam @ trace%
data pagecarrot seed oil @ 0.25%
data pageginger root oil brazil @ 7.00%
data pageginger root oil CO2 extract @ 6.81%
data pageginger root oil CO2 extract australia @ 8.18%
data pagejambu flower oil brazil @ 0.10%
data pagelime oil expressed florida @ trace%
data pagemayur pankh fruit oil himalaya @ 0.70%
data pageparsley leaf oil @ 8.51%
data pageparsley leaf oil cuba @ 1.04%
data pagethymus richardii pers. subsp. nitidus (guss.) jalas oil italy @ 0.70%
data pageturmeric root oil CO2 extract @ 3.17%
data pageturmeric root oil vietnam @ 3.00%



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Html Last modified 08/04/2009