citrus ocimenol
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IUPAC name :3,7-dimethyloctan-3-ol
InChI :InChI=1/C10H22O/c1-5-10(4,11)8-6-7-9(2)3/h9,11H,5-8H2,1-4H3
InChIKey :DLHQZZUEERVIGQ-UHFFFAOYAA
SMILES :CCC(C)(CCCC(C)C)O
cas number :78-69-3
% from :35.00% to 55.00%
(EINECS) number :201-133-9
fema number :3060
coe number :77
jecfa number :357
fl. number :02.028
molar refractivity :49.83 ± 0.3 cm3
parachor :439.2 ± 4.0 cm3
index of refraction :1.433 ± 0.02
surface tension :27.6 ± 3.0 dyne/cm
density :0.826 ± 0.06 g/cm3
polarizability :19.75 ± 0.5 10-24cm3
XlogP : 3.70
XlogP3-AA : 3.30
molecular weight : 158.2810800 (IUPAC)
formula :C10 H22 O
BioActivity Analysis :419560
NMR Predictor :Predict
 
 
IUPAC name :2,6-dimethyloctan-2-ol
InChI :InChI=1/C10H22O/c1-5-9(2)7-6-8-10(3,4)11/h9,11H,5-8H2,1-4H3
InChIKey :WRFXXJKURVTLSY-UHFFFAOYAK
SMILES :CCC(C)CCCC(C)(C)O
cas number :18479-57-7
% from :35.00% to 55.00%
(EINECS) number :242-361-9
molar refractivity :49.83 ± 0.3 cm3
parachor :439.2 ± 4.0 cm3
index of refraction :1.433 ± 0.02
surface tension :27.6 ± 3.0 dyne/cm
density :0.826 ± 0.06 g/cm3
polarizability :19.75 ± 0.5 10-24cm3
XlogP : 3.90
XlogP3-AA : 3.30
molecular weight : 158.2810800 (IUPAC)
formula :C10 H22 O
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
Suppliers :
Berje :Tetra Hydro Linalyl Mufuol
IFF :Tetrahydro Muguol® Coeur
Odor:  Floral, Citrus, Woody
Fresh, floral, woody odor with a citrus nuance. A modern alternative to linalool and can also be used as a floralizer.
IFF :Tetrahydro Muguol®
Odor:  Floral, Citrus, Woody
Fresh, floral, woody odor with a citrus nuance. A modern alternative to linalool and can also be used as a floralizer.
John D. Walsh :Tetra Hydro Muguol
Penta :tetrahydromuguol
Takasago :Linacsol
≥90% as Linacsol
Odor:  Fresh citrusy lime-like
An all-purpose floralizer with some of the qualities of linalool, but fresher, more tart, and substantially more intense.
Vigon :Tetrahydrolinalool
Odor:  DRY, FLORAL
organoleptics :
odor type :citrus
odor strength :medium
odor description:
at 100.00 %.  		fresh sweet citrus lime floral lily
Luebke, William tgsc, (1990)
odor sample from :International Flavors & Fragrances Inc.
substantivity :12  Hour(s)
properties :
appearence :colorless clear liquid
assay : 80.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.83500 to 0.84300 @ 25.00 °C.
pounds per gallon - calc. : 6.948 to 7.015
specific gravity :0.83600 to 0.84400 @ 20.00 °C.
pounds per gallon - calc. : 6.964 to 7.031
refractive index :1.43600 to 1.44200 @ 20.00 °C.
acid value : 1.00  max.  KOH/g
flash point : 176.00  °F.  TCC  ( 80.00 °C. )
logP (o/w) : 3.54
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.
Human experience : 5 % solution: no irritation or sensitization.
Oral Toxicity(LD50) : 
  Oral-Rat    >5000.00  mg/kg
(Moreno, 1976r)

Dermal Toxicity(LD50) : 
  Skin-Rabbit  >5000.00  mg/kg
Food and Cosmetics Toxicology. Vol. 17, Pg. 909, 1979.

Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :fragrance agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :47.00 (μg/capita/day)
 
recommendation for citrus ocimenol fragrance usage levels up to :
  40.0000 % in the fragrance concentrate.
recommendation for citrus ocimenol flavor usage levels up to :
 not for flavor use.
safety references :
European Food Safety Athority(efsa) :Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
EPI System :view
Env. Mutagen Info. Center :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :1
 
 
 
 
3,7-dimethyloctan-3-ol
(EINECS) number :201-133-9
RTECS :RH0905000 for cas# 78-69-3
chemidplus :000078693
EPA Substance Registry Services :78-69-3
dtp/nci :128151
 
 
 
2,6-dimethyloctan-2-ol
(EINECS) number :242-361-9
chemidplus :018479577
EPA Substance Registry Services :18479-57-7
references :
 
3,7-dimethyloctan-3-ol
fl. number :02.028
jecfa number :357
NIST Chemistry WebBook :3472357566
pubchem :149512
 
2,6-dimethyloctan-2-ol
NIST Chemistry WebBook :585044144
pubchem :663598
other :
VCF-Online: VCF Volatile Compounds in Food
RIFM :listed
FMA :listed
synonyms :
3,7-dimethyloctan-3-ol
 linacsol
 tetrahydroalloocimenol
 tetrahydrolinalool and tetrahydromyrcenol mixture
 tetrahydromuguol
 tetrahydromyrcenol tetrahydrolinalool and dihydro-alpha-terineol mixture
 tetralol
soluble in :
 alcohol
insoluble in :
 water
stability :
 acid cleaner
 alcoholic fine fragrance, good
 antiperspirant, good
 deo stick
 fabric softener, good
 hard surface cleaner
 hypochlorite bleach, good
 liquid detergent, good
 perborate powder detergent, good
 shampoo
 soap, good
 toiletry application, good
potential blenders :    note
 acetaldehyde ethyl phenethyl acetalFL/FR
 allyl amyl glycolateFR
isoamyl benzoateFL/FR
isoamyl butyrateFL/FR
alpha-amyl cinnamaldehydeFL/FR
isoamyl salicylateFL/FR
 amyris wood oilFL/FR
 animal carbolactoneFR
para-anisyl alcoholFL/FR
 armoise oilFR
 basil oilFL/FR
 bay leaf oilFL/FR
 benzyl acetateFL/FR
 benzyl alcoholFL/FR
 benzyl cinnamateFL/FR
 benzyl isobutyrateFL/FR
 benzyl propionateFL/FR
 bergamot oilFL/FR
 blood orange oilFL/FR
 bois de rose oilFL/FR
 boronia absoluteFL/FR
isobutyl cinnamateFL/FR
isobutyl salicylateFL/FR
 caraway seed oilFL/FR
 cassia bark oilFL/FR
 cedarwood oils 
 cinnamyl alcoholFL/FR
 cinnamyl butyrateFL/FR
 citronellolFL/FR
 citronellyl acetateFL/FR
 citronellyl ethoxalateFR
 citrus carbaldehydeFR
 citrus ocimenolFR
 clary sage oilFL/FR
 clove bud oilFL/FR
 clover nitrileFR
 coconut absoluteFL/FR
 coriander seed oilFL/FR
 costus valerolactoneFR
para-cresyl caprylateFL/FR
para-cresyl isobutyrateFL/FR
 cyclamen aldehydeFL/FR
 cyclamen aldehyde / methyl anthranilate schiff's baseFR
 cyclohexyl ethyl alcoholFL/FR
 decanalFL/FR
 decanolFL/FR
 decyl acetateFL/FR
 dihydrojasmoneFL/FR
 dihydromyrcenolFL/FR
 dimethyl anthranilateFL/FR
 dimethyl benzyl carbinyl butyrateFL/FR
 dimethyl benzyl carbinyl isobutyrateFR
 dodecanalFL/FR
 dodecanolFL/FR
 ethyl cinnamateFL/FR
 ethyl heptanoateFL/FR
 ethyl maltolFL/FR
 ethyl vanillinFL/FR
 eugenolFL/FR
(E,E)-farnesolFL/FR
 fir balsam absoluteFR
 fir needle oilFL/FR
 floral pyranolFR
 flouve absoluteFR
 frankincense oilFL/FR
 freesia acetateFR
 galbanum oilFL/FR
 gardenia oxideFR
 geraniolFL/FR
 geranium oilFL/FR
 geranyl acetateFL/FR
 ginger root oilFL/FR
 grapefruit oilFL/FR
 grapefruit pentanolFR
 green acetateFR
 guaiacwood oilFL/FR
 gurjun balsam oilFR
 hay absoluteFR
 heliotropinFL/FR
 heliotropyl acetoneFL/FR
(Z)-3-hexen-1-olFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl benzoateFL/FR
(Z)-3-hexen-1-yl formateFL/FR
(Z)-3-hexen-1-yl propionateFL/FR
(Z)-3-hexen-1-yl salicylateFL/FR
(Z)-3-hexen-1-yl tiglateFL/FR
 hexyl 2-methyl butyrateFL/FR
alpha-hexyl cinnamaldehydeFL/FR
 hexyl tiglateFL/FR
 ho leaf oilFR
 hyacinth etherFR
 hydroxycitronellalFL/FR
 hydroxycitronellal / methyl anthranilate schiff's baseFR
 hydroxycitronellal diethyl acetalFL/FR
 hydroxycitronellal dimethyl acetalFL/FR
 hydroxycitronellolFL/FR
 hyssop oilFL/FR
 immortelle absoluteFL/FR
 ionones 
 labdanum resinoidFR
 lavandin oilFL/FR
 lavender absoluteFL/FR
 leaf acetalFL/FR
 leerallFR
 leerall / methyl anthranilate schiff's baseFR
 lemon oilFL/FR
 lily propanolFR
 lime octadienalFR
 lime octenolFL/FR
 lime oilFL/FR
 lime oil distilled peruFL/FR
 lime oil expressed floridaFL/FR
 lime oil expressed terpenelessFL/FR
 linaloolFL/FR
laevo-linaloolFL/FR
 linalool oxideFL/FR
 linalyl acetateFL/FR
 litsea cubeba oilFL/FR
 mace oilFL/FR
 mandarin oilFL/FR
 melon heptenalFL/FR
 melon nonenoateFL/FR
 methoxycitronellalFR
 methyl 2-methyl valerateFL/FR
 methyl anthranilateFL/FR
 methyl cedryl ketoneFL/FR
alpha-methyl cinnamaldehydeFL/FR
 methyl cinnamateFL/FR
1-methyl cyclohexene 
 methyl dihydrojasmonateFL/FR
 methyl heptine carbonateFL/FR
 methyl octine carbonateFL/FR
2-methyl undecanalFL/FR
 mimosa absoluteFL/FR
 muguet carbaldehydeFR
 muguet carboxaldehydeFR
 muguet octadienolFR
 muguet propanolFR
 musks 
 myrrh oilFL/FR
beta-naphthyl ethyl etherFL/FR
 nerolFL/FR
 neroli oilFL/FR
 nerolidolFL/FR
 neryl acetateFL/FR
 nonanalFL/FR
 nonanolFL/FR
 nopyl acetateFR
 nutmeg oilFL/FR
 oakmoss absoluteFL/FR
 ocean propanalFL/FR
 octanalFL/FR
 orange oilFL/FR
 orangeflower absoluteFL/FR
 origanum oilFL/FR
 orris absoluteFL/FR
 orris pyridineFR
 patchouli ethanoneFR
 patchouli oilFL/FR
 peony alcoholFR
 pepper oil blackFL/FR
 peru balsam oilFL/FR
 petitgrain lemon oilFL/FR
 petitgrain oilFL/FR
 phenethyl acetateFL/FR
 phenethyl alcoholFL/FR
 phenethyl isobutyrateFL/FR
 phenethyl isovalerateFL/FR
 phenethyl phenyl acetateFL/FR
 phenethyl propionateFL/FR
 phenyl acetaldehydeFL/FR
 phenyl acetaldehyde dimethyl acetalFL/FR
3-phenyl propionaldehydeFL/FR
3-phenyl propyl alcoholFL/FR
 raspberry ketoneFL/FR
 rhodinolFL/FR
 rose butanoateFL/FR
 rose oxides 
 sandalwood oilFL/FR
 santallFR
 spearmint oilFL/FR
 spruce oilFL/FR
 strawberry glycidate 1FL/FR
 styralyl acetateFL/FR
alpha-terpineolFL/FR
alpha-terpinyl acetateFL/FR
alpha-terpinyl anthranilateFL/FR
 tetrahydrolinaloolFL/FR
 tetrahydromyrcenolFR
 tobacco dodecaneFR
 tolu balsamFL/FR
 tonka bean absoluteFR
 trimethyl cyclohexeneFR
gamma-undecalactoneFL/FR
10-undecen-1-alFL/FR
 vanilla absoluteFL/FR
 vanillyl acetateFL/FR
 verbena oilFL
 vetiver oilFL/FR
 violet leaf absoluteFL/FR
 violet methyl carbonateFR
 watermelon ketoneFR
 woody acetateFR
 woody amyleneFR
 ylang ylang oilFL/FR
potential uses :
 almond
 amber
 apple
 apricot
 balsam
 berry
 bluebell
 blueberry
 botanical
 bouquet
 cedar
 christmas blends
 chypre
 cilantro
 citrus
 clean
 coconut tropical coconut
 fern fougere
 floral
 forest pine forest
 fresh
 fruit
 gardenia
 grape
 grass sweet grass
 hawthorn
 hay new mown hay foin coupe
 herbal
 jasmin
 lavender
 lemon
 lilac lilas syringa
 lily
 lime
 lotus
 lychee soapberry
 mandarin
 mint
 muguet lily of the valley
 musk
 neroli
 oregano
 oriental
 outdoors fresh outdoors
 peach
 pine
 potpourri
 rose
 sandalwood
 soapy
 strawberry
 tea
 tea green tea
 thyme
 tide
 tobacco tabac tabaco
 woody
natural occurrence in :    note
 can be natural  

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