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
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
molecular weight : 158.2810800 (IUPAC)
formula :C10 H22 O
NMR Predictor :Predict
 

 
export tariff code :unspecified
fda reg :172.515

Suppliers :
Berje :Tetra Hydro Linalyl Mufuol
IFF :Tetrahydro Muguol® Coeur
Odor:  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:  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.
Vigon :Tetrahydrolinalool
Odor:  DRY, FLORAL

organoleptics :
odor type :citrus
odor strength :medium
odor description :¹
at 100.00 %.  
fresh sweet citrus lime floral lily
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

Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
Maximised Survey-derived Daily Intakes (MSDI-EU) :47.00 (μg/capita/day)
 
recommendation for citrus ocimenol usage levels up to :
  40.0000 % in the fragrance concentrate.

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 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 :
reference : Luebke, William tgsc, (1990)¹
VCF-Online: VCF Volatile Compounds in Food
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

(odor and/or flavor) blends with :
 acetaldehyde ethyl phenethyl acetal
 allyl amyl glycolate
isoamyl benzoate
isoamyl butyrate
alpha-amyl cinnamaldehyde
isoamyl salicylate
 amyris wood oil
 animal carbolactone
para-anisyl alcohol
 armoise oil
 basil oil
 bay leaf oil
 benzyl acetate
 benzyl alcohol
 benzyl cinnamate
 benzyl isobutyrate
 benzyl propionate
 bergamot oil
 blood orange oil
 bois de rose oil
 boronia absolute
isobutyl cinnamate
isobutyl salicylate
 caraway seed oil
 cassia bark oil
 cedarwood oils
 cinnamyl alcohol
 cinnamyl butyrate
 citronellol
 citronellyl acetate
 citronellyl ethoxalate
 citrus carbaldehyde
 citrus ocimenol
 clary sage oil
 clove bud oil
 clover nitrile
 coconut absolute
 coriander seed oil
 costus valerolactone
para-cresyl caprylate
para-cresyl isobutyrate
 cyclamen aldehyde
 cyclamen aldehyde / methyl anthranilate schiff's base
 cyclohexyl ethyl alcohol
 decanal
 decanol
 decyl acetate
 dihydrojasmone
 dihydromyrcenol
 dimethyl anthranilate
 dimethyl benzyl carbinyl butyrate
 dimethyl benzyl carbinyl isobutyrate
 dodecanal
 dodecanol
 ethyl cinnamate
 ethyl heptanoate
 ethyl maltol
 ethyl vanillin
 eugenol
(E,E)-farnesol
 fir balsam absolute
 fir needle oil
 floral pyranol
 flouve absolute
 frankincense oil
 freesia acetate
 galbanum oil
 gardenia oxide
 geraniol
 geranium oil
 geranyl acetate
 ginger root oil
 grapefruit oil
 grapefruit pentanol
 green acetate
 guaiacwood oil
 gurjun balsam oil
 hay absolute
 heliotropin
 heliotropyl acetone
(Z)-3-hexen-1-ol
(Z)-3-hexen-1-yl acetate
(Z)-3-hexen-1-yl benzoate
(Z)-3-hexen-1-yl formate
(Z)-3-hexen-1-yl propionate
(Z)-3-hexen-1-yl salicylate
(Z)-3-hexen-1-yl tiglate
 hexyl 2-methyl butyrate
alpha-hexyl cinnamaldehyde
 hexyl tiglate
 ho leaf oil
 hyacinth ether
 hydroxycitronellal
 hydroxycitronellal / methyl anthranilate schiff's base
 hydroxycitronellal diethyl acetal
 hydroxycitronellal dimethyl acetal
 hydroxycitronellol
 hyssop oil
 immortelle absolute
 ionones
 labdanum resinoid
 lavandin oil
 lavender absolute
 leaf acetal
 leerall
 leerall / methyl anthranilate schiff's base
 lemon oil
 lily propanol
 lime octadienal
 lime octenol
 lime oil
 lime oil distilled peru
 lime oil expressed florida
 lime oil expressed terpeneless
 linalool
laevo-linalool
 linalool oxide
 linalyl acetate
 litsea cubeba oil
 mace oil
 mandarin oil
 melon heptenal
 melon nonenoate
 methoxycitronellal
 methyl 2-methyl valerate
 methyl anthranilate
 methyl cedryl ketone
alpha-methyl cinnamaldehyde
 methyl cinnamate
1-methyl cyclohexene
 methyl dihydrojasmonate
 methyl heptine carbonate
 methyl octine carbonate
2-methyl undecanal
 mimosa absolute
 muguet carbaldehyde
 muguet carboxaldehyde
 muguet octadienol
 muguet propanol
 musks
 myrrh oil
beta-naphthyl ethyl ether
 nerol
 neroli oil
 nerolidol
 neryl acetate
 nonanal
 nonanol
 nopyl acetate
 nutmeg oil
 oakmoss absolute
 ocean propanal
 octanal
 orange oil
 orangeflower absolute
 origanum oil
 orris absolute
 orris pyridine
 patchouli ethanone
 patchouli oil
 peony alcohol
 pepper oil black
 peru balsam oil
 petitgrain lemon oil
 petitgrain oil
 phenethyl acetate
 phenethyl alcohol
 phenethyl isobutyrate
 phenethyl isovalerate
 phenethyl phenyl acetate
 phenethyl propionate
 phenyl acetaldehyde
 phenyl acetaldehyde dimethyl acetal
3-phenyl propionaldehyde
3-phenyl propyl alcohol
 raspberry ketone
 rhodinol
 rose butanoate
 rose oxides
 sandalwood oil
 santall
 spearmint oil
 spruce oil
 strawberry glycidate 1
 styralyl acetate
alpha-terpineol
alpha-terpinyl acetate
alpha-terpinyl anthranilate
 tetrahydrolinalool
 tetrahydromyrcenol
 tobacco dodecane
 tolu balsam
 tonka bean absolute
 trimethyl cyclohexene
gamma-undecalactone
10-undecen-1-al
 vanilla absolute
 vanillyl acetate
 verbena oil
 vetiver oil
 violet leaf absolute
 violet methyl carbonate
 watermelon ketone
 woody acetate
 woody amylene
 ylang ylang oil

(odor and/or flavor) used in :
 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 :
natural



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