hotrienol
 
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IUPAC name :(5E)-3,5-dimethylocta-1,5,7-trien-3-ol
InChI :InChI=1/C10H16O/c1-5-7-9(3)8-10(4,11)6-2/h5-7,11H,1-2,8H2,3-4H3/b9-7+
InChIKey :BXBYGLDDEZXFSZ-VQHVLOKHBD
SMILES :C/C(=C\C=C)/CC(C)(C=C)O
cas number :20053-88-7
fema number :3830
coe number :10202
jecfa number :1154
molar refractivity :49.22 ± 0.3 cm3
parachor :403.2 ± 4.0 cm3
index of refraction :1.475 ± 0.02
surface tension :28.3 ± 3.0 dyne/cm
density :0.871 ± 0.06 g/cm3
polarizability :19.51 ± 0.5 10-24cm3
xlogp : 2.10
molecular weight : 152.2334400
formula :C10 H16 O
 
 
export tariff code :unspecified
fda reg :unspecified
 

Suppliers :
Treatt :Hotrienol
10% in PG

organoleptics :
odor type :tropical
odor strength :medium
odor description :¹ :
at 100.00 %.  
sweet tropical ocimene fennel ginger myrcene
substantivity :5 hour(s) at 100.00 %

properties :
appearence :colorless clear liquid
assay : 93.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.87700 to 0.88400 @ 25.00 °C.
pounds per gallon - calc. : 7.298 to 7.356
refractive index :1.45800 to 1.46800 @ 20.00 °C.
boiling point : 62.00 °C. @ 4.50 mm Hg
boiling point : 229.00 to 230.00 °C. @ 760.00 mm Hg
acid value : 1.00  max.  KOH/g
logp : 2.49

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
flash point ( Deg. F. ) : 193.00  °F.  TCC  ( 89.44 °C. )
recommendation for hotrienol usage levels up to :
  2.0000 % in the fragrance concentrate.

safety references :
EPI System :view
 
 
 (5E)-3,5-dimethylocta-1,5,7-trien-3-ol
chemidplus :020053887
EPA Substance Registry Services :20053-88-7
NLM Chemical Carcinogenesis Research Information System :20053-88-7
NLM Developmental and Reproductive Toxicity :20053-88-7
NLM Env. Mutagen Info. Center :20053-88-7
NLM GENetic TOXicology :20053-88-7

references :
 (5E)-3,5-dimethylocta-1,5,7-trien-3-ol
jecfa number :1154
pubchem :172159
reference : Luebke, William tgsc, (2007)¹

other :
synonyms :
(-)-(E)-dehydrolinalool
(R,E)-3,7-dimethyl octa-1,5,7-trien-3-ol
(R,E) 3,7-dimethyl-1,5,7-octatrien-3-ol
 hotrienol
(-)-(E)-hotrienol
(-)-trans-hotrienol

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) blends with :
 acetaldehyde methyl hexyl acetal
 acetoin butyrate
 acetyl methyl anthranilate
 allyl benzoate
 allyl butyrate
 allyl hexanoate
 allyl octanoate
 allyl propionate
 allyl tiglate
 amber carbinol
 ambrette seed absolute
delta6-isoambrettolide
isoamyl 2-methyl butyrate
isoamyl 3-methyl thiopropionate
 amyl butyrate
isoamyl isovalerate
isoamyl propionate
(E)-anethol
 angelica root oil
para-anisaldehyde
 anise seed oil
para-anisyl acetate
para-anisyl alcohol
para-anisyl propanal
 artemisyl ketone
 basil oil
 benzyl butyrate
 benzyl isobutyrate
 benzyl isoeugenol
3-benzyl-4-heptanone
 berry hexanoate
 berry pentadienoate
 bisabolene
 blackberry thiophenone
 blueberry notes
 bois de rose oil
laevo-bornyl acetate
 bornyl valerate
 buchu mercaptan
 butyl anthranilate
isobutyl anthranilate
isobutyl butyrate
 butyl hexanoate
isobutyl isobutyrate
isobutyl isovalerate
 butyl valerate
isobutyl-3-(methyl thio) butyrate
 campholene acetate
alpha-campholenic alcohol
 caramel furanone
 caraway seed oil
 cardamom seed oil
 carrot seed oil
laevo-carvone
 cassis pentanone
 chamomile oil
 cistus oil
 citral
 citronellyl acetate
 citrus carbaldehyde
 clary sage oil
 conifer acetate
 coriander seed oil
 cortex pyridine
 cranberry notes
ortho-cresyl isobutyrate
 cuminaldehyde
 currant bud absolute black
 cyclamen aldehyde
 cyclohexyl carboxylic acid
 cyclohexyl ethyl acetate
 cypress oil
beta-damascenone
alpha-damascone
 davana oil
 decanal
 dihydro-alpha-ionone
 dihydroanethol
isodihydrolavandulal
 dihydromyrcenol
 dimethyl benzyl carbinyl acetate
 dimethyl benzyl carbinyl butyrate
 dipropyl trisulfide
 ethyl (E,Z)-2,4-decadienoate
 ethyl 2-hydroxy-3-methyl valerate
 ethyl 2-methyl-2-pentenoate
 ethyl 2-octenoate
 ethyl 3-octenoate
 ethyl 3-oxohexanoate
 ethyl acetoacetate
 ethyl butyrate
2-ethyl butyric acid
 ethyl cinnamate
 ethyl heptanoate
 ethyl levulinate
 ethyl maltol
 ethyl methyl-para-tolyl glycidate
 ethyl nonanoate
 ethyl ortho-anisate
 ethyl valerate
 fennel seed oil
 filbert hexenone
 fir balsam absolute
 floral pyranol
 frankincense oil
 frankincense resinoid
 fruity ketal
 furfuryl isovalerate
(E)-furfurylidene phenyl acetaldehyde
 genet absolute
 geranyl acetate
(E)-geranyl acetone
 geranyl butyrate
 geranyl isovalerate
 geranyl methyl tiglate
 geranyl propionate
 gooseberry notes
 grapefruit menthane
 grapefruit pentanol
 heliotropyl acetate
 heliotropyl acetone
 heliotropyl diethyl acetal
 heliotropyl isobutyrate
 heptanal dimethyl acetal
 herbal undecanone
(Z)-3-hexen-1-yl 2-methyl butyrate
(Z)-3-hexen-1-yl phenyl acetate
(Z)-3-hexen-1-yl tiglate
 hexyl 2-methyl butyrate
 hexyl 2-methyl-3-pentenoate
 hexyl acetate
 hexyl isobutyrate
 hexyl isovalerate
 hexyl octanoate
 ho leaf oil
 hyacinth ether
2'-hydroxyacetophenone
beta-ionone
beta-ionone epoxide
 ionones
beta-ionyl acetate
2,4-ivy carbaldehyde
 jambu oleoresin
 juniper berry oil
 juniper berry oleoresin
 lavender absolute
 leaf acetal
 leather propionate
 lemon oil
 lemongrass oil
 lime oil
laevo-limonene
 linalool
laevo-linalool
 linalool oxide
 linalyl acetate
 lychee mercaptan acetate
 maltyl isobutyrate
 maltyl propionate
 mango thiol
 melon heptenal
 melon nonenoate
1-para-menthene-8-thiol
dextro,laevo-menthyl acetate
3-mercapto-2-butanone
3-mercaptohexyl acetate
3-mercaptohexyl butyrate
3-mercaptohexyl hexanoate
 methyl (E)-cinnamate
 methyl 2-(methyl thio) butyrate
 methyl 2-methyl valerate
 methyl beta-ionol
 methyl cinnamate
 methyl furfuryl disulfide
 methyl heptanoate
 methyl heptenone
 methyl isoeugenol
 methyl nonanoate
 methyl propionate
S-(methyl thio) hexanoate
 methyl thiomethyl butyrate
2-methyl undecanal
2-methyl-2-pentenoic acid
2-methyl-3-pentenoic acid
4-methyl-4-phenyl pentanone
 muguet carboxaldehyde
 muguet octadienol
 myrcene
 narcissus absolute
 nerolidol
 nerolin fragarol
 neryl isobutyrate
(E,Z)-2,6-nonadien-1-al
(E,Z)-2,6-nonadien-1-ol
(Z)-6-nonen-1-al
3-nonen-2-one
 nonyl acetate
 ocean propanal
beta-ocimene
delta-octalactone
 octanal
(E)-2-octen-1-yl butyrate
3-octen-2-one
1-octen-3-ol
(E)-2-octen-4-ol
2-octen-4-one
 octyl acetate
 octyl propionate
 orange oil bitter
 orris root resinoid
 osmanthus absolute
 passiflora acetate
1-penten-3-ol
 pepper oil black
 pepper tree berry oil
 petitgrain oil
 phenethyl acetate
 phenethyl butyrate
2-phenethyl isothiocyanate
1-phenethyl mercaptan
 phenethyl pivalate
 phenyl acetaldehyde dimethyl acetal
3-phenyl propyl isovalerate
 phenyl propyl valerate
 pine needle oil dwarf
 plum crotonate
isopropenyl acetate
isopropyl 2-methyl butyrate
 propyl acetate
 propyl formate
isopropyl formate
 propyl heptanoate
 propyl hexanoate
isopropyl hexanoate
 propyl isobutyrate
 prune glycidate
 raspberry ketone
 raspberry ketone acetate
 raspberry ketone methyl ether
 raspberry notes
 rose butanoate
 rose carboxylate
 saffron indenone
 sassafras acetate
 spearmint oil
 spruce oil
 strawberry furanone
 strawberry glycidate 1
 strawberry glycidate 2
 strawberry notes
 styralyl acetate
 styralyl butyrate
gamma-terpinene
alpha-terpineol
alpha-terpinyl acetate
 terpinyl propionate
 tetrahydrofurfuryl butyrate
 tetrahydrofurfuryl propionate
 tetrahydroionyl acetate
 tetrahydrolinalool
 tetrahydromyrcenol
 thiogeraniol
4-(para-tolyl)-2-butanone
S-tropical 2-thiobutyrate
 tropical 3-thiobutyrate
 tropical indene
 tropical ionone
 tropical oxathiane
 tropical thiazole
 tropical trithiane
 vanilla carboxylate
 verbena oil
 violet leaf absolute
 viridiflorol
 watermelon ketone

(odor and/or flavor) used in :
 abronia
 absinthe
 agrumen
 aldehydic
 amaryllis
 angelica
 anise
 apple crabapple
 ash mountain ash berry
 avocado
 balsam
 banana quana banana
 bayberry
 bean
 berry
 blackberry
 blossom tropical blossom
 blueberry
 boronia
 boxwood blossom
 boxwoodberry
 boysenberry
 broom genet genista
 calamus
 capsicum
 caraway
 cardamom
 carrot seed
 cascarilla
 cassia blossom
 cassis black currant bud
 cedrat
 chamomile
 champaca champak
 cherry maraschino cherry
 cherry wild cherry
 chrysanthemum chrysantheme
 cilantro
 citrus
 clematis
 cognac
 colonia
 copaiba
 coriander
 crabapple blossom
 cranberry
 cubeb
 curacao
 davana
 durian
 earth humus
 elder blossom
 elderberry
 estragon
 exotic
 fennel
 fig
 fir balsam
 floral
 forest
 fruit tropical fruit
 galanga
 ginger
 ginger ale
 ginger white ginger
 greenhouse
 guava
 herbal
 hibiscus
 hops houblon
 huckleberry bilberry
 hyacinth jacinthe
 hydrangea
 jonquil narcissus jonquilla
 juniperberry
 kiwi
 kiwi blossom
 kumquat
 lavandin
 lavender
 lemon
 lemongrass
 licorice
 lime
 linaloe wood
 linden blossom limeflower tilleul
 loganberry dewberry
 lychee soapberry
 mango
 mango blossom
 marigold tagete
 marjoram
 mushroom
 myrtle
 narcissus narcisse
 niaouli
 nut filbert
 nut pecan
 nut walnut
 orange bitter orange
 papaya
 pepper
 pepper tree
 petitgrain lemon petitgrain
 pine needle
 pine scotch pine
 pomegranate
 radish
 reseda mignonette
 rose dog rose
 rose moss rose
 rutabaga
 sarsaparilla
 sassafras
 snakeroot
 spearmint
 spicewood
 tamarind
 tarragon
 tea herbal tea
 tomato leaf
 tropical
 valerian
 vermouth
 wasabi
 watercress nasturtium
 wine
 witch hazel
 worchestshire
 wormwood absinthium

natural occurrence in :
data pagebois de rose leaf oil brazil @ 0.40-0.54%
data pagebois de rose oil brazil @ 0.10-0.20%
ho leaf oil
data pagelaurel leaf oil turkey @ 0.10%
data pagelavandin oil abrialis @ trace%
data pagewitch hazel leaf oil @ trace%



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