(E)-nerolidol
organoleptics  properties  safety  references  cosmetics    Home Page
 
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IUPAC name :(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol
InChI :InChI=1/C15H26O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,9,11,16H,1,7-8,10,12H2,2-5H3/b14-11+
InChIKey :FQTLCLSUCSAZDY-SDNWHVSQBS
SMILES :CC(=CCC/C(=C/CCC(C)(C=C)O)/C)C
cas number :40716-66-3
(EINECS) number :255-053-4
beilstein number :5731231
coe number :67
fl. number :02.232
molar refractivity :72.56 ± 0.3 cm3
parachor :596.5 ± 4.0 cm3
index of refraction :1.479 ± 0.02
surface tension :29.6 ± 3.0 dyne/cm
density :0.869 ± 0.06 g/cm3
polarizability :28.76 ± 0.5 10-24cm3
XlogP : 4.30
molecular weight : 222.3663400
formula :C15 H26 O
BioActivity Analysis :48415439
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified

organoleptics :
odor type :floral
odor strength :low
odor description :
at 100.00 %.  
floral green citrus woody waxy

properties :
appearence :colorless to pale yellow clear liquid
assay : 85.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.87600 @ 25.00 °C.
refractive index :1.47900 @ 20.00 °C.
boiling point : 145.00 to 146.00 °C. @ 12.00 mm Hg
boiling point : 276.00 to 277.00 °C. @ 760.00 mm Hg
flash point :> 230.00  °F.  TCC  ( > 110.00 °C. )
logP (o/w) : 5.32

safety :
most important hazard(s) :Xi - Irritant
  R 36/38 - Irritating to skin and eyes.
R 50/53 - Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
S 24 - Avoid contact with skin.
S 25 - Avoid contact with eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
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 (E)-nerolidol usage levels up to :
  10.0000 % in the fragrance concentrate.

safety references :
EPI System :view
 
WGK Germany :3
 
 
 
 (6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol
(EINECS) number :255-053-4
chemidplus :040716663
EPA Substance Registry Services :40716-66-3

references :
 (6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol
fl. number :02.232
NIST Chemistry WebBook :3604548068
pubchem :669189

Cosmetics :
Cosmetic uses : perfuming agents

other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
synonyms :
trans-nerolidol
trans-3,7,11-trimethyl dodeca-1,6,10-trien-3-ol
trans-trimethyl dodecatrien-3-ol
(E)-3,7,11-trimethyl-1,6,10-dodecatrien-3-ol
trans-3,7,11-trimethyl-1,6,10-dodecatrien-3-ol
(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) blends with :
 acetaldehyde ethyl phenethyl acetal
 acetoin
 allyl amyl glycolate
 amber carbinol
 ambroxan
alpha-amyl cinnamaldehyde
isoamyl salicylate
 amyris wood oil
 animal carbolactone
para-anisaldehyde
para-anisyl alcohol
 beeswax absolute
 benzoin resinoid
 benzyl acetate
 benzyl alcohol
 benzyl benzoate
 benzyl cinnamate
 benzyl isoeugenol
 benzyl propionate
 benzyl salicylate
 bergamot oil
 bois de rose oil
isobornyl acetate
laevo-bornyl acetate
isobutyl cinnamate
isobutyl quinoline
isobutyl salicylate
 caraway seed oil
 carrot seed oil
 cedarwood oils
 cinnamyl alcohol
 cistus oil
 citronellol
 citronellyl acetate
 citrus carbaldehyde
 clary sage oil
 clove bud oil
 clover nitrile
 coriander seed oil
 costus valerolactone
 coumarin
 currant bud absolute black
 cyclamen aldehyde
 cyclohexyl ethyl alcohol
gamma-decalactone
 decanal
 decanol
9-decen-1-ol
 dihydrojasmone
 dimethyl anthranilate
 dimethyl benzyl carbinol
 dimethyl benzyl carbinyl acetate
 dimethyl benzyl carbinyl butyrate
 dimethyl hydroquinone
 dodecanal
 dodecanol
 ethyl (E,Z)-2,4-decadienoate
 ethyl cinnamate
 ethyl laurate
 ethyl vanillin
isoeugenyl acetate
 fir balsam absolute
 floral pyranol
 gardenia oxide
 geraniol
 geranium oil
 geranyl acetate
 grapefruit pentanol
 green acetate
 guaiacwood oil
 hay absolute
 heliotropin
 heliotropyl acetone
 heliotropyl diethyl acetal
gamma-heptalactone
gamma-hexalactone
(Z)-3-hexen-1-yl benzoate
(Z)-3-hexen-1-yl salicylate
 hexyl 2-methyl butyrate
 hexyl acetate
alpha-hexyl cinnamaldehyde
 hyacinth ether
 hydroxycitronellal
 indole
 ionones
 lavender absolute
 leerall
 linalool
laevo-linalool
 linalool oxide
 linalyl acetate
 longifolene
 marine pyridine
 melon nonenoate
 methyl acetophenone
 methyl anthranilate
 methyl cedryl ketone
 methyl cinnamate
 methyl dihydrojasmonate
 methyl heptine carbonate
 methyl ionones
 methyl isoeugenol
 methyl octine carbonate
 mimosa absolute
 muguet carboxaldehyde
 muguet octadienol
 musks
beta-naphthyl ethyl ether
 nerol
 neryl acetate
gamma-nonalactone
 nonanal
 nonanol
 oakmoss absolute
 ocean propanal
gamma-octalactone
 orris pyridine
 patchouli ethanone
 patchouli oil
 peony alcohol
 phenethyl acetate
 phenethyl alcohol
 phenethyl phenyl acetate
 phenethyl salicylate
 phenyl acetaldehyde dimethyl acetal
3-phenyl propionaldehyde
3-phenyl propyl alcohol
 raspberry ketone
 rhodinol
 rose butanoate
 santall
alpha-terpineol
 tobacco dodecane
 tonka bean absolute
gamma-undecalactone
10-undecen-1-al
 vanilla absolute
 vanillyl acetate
 verymoss
 violet methyl carbonate
 watermelon ketone
 woody acetate
 woody amylene
 ylang ylang oil

(odor and/or flavor) used in :
 apple
 balsam
 blueberry
 cabreuva
 cassie acacia farnesiana
 clary sage
 cologne
 currant
 cyclamen
 fixer
 grape
 grapefruit
 honeysuckle chevrefeuille
 jasmin
 leather
 lilac lilas syringa
 lily
 melon watermelon muskmelon cantaloupe
 muguet lily of the valley
 neroli
 orange
 orange blossom fleur d'oranger
 peach
 pear
 peru balsam
 petitgrain
 rain spring rain
 raspberry
 rose
 strawberry
 tea green tea
 tolu balsam
 violet
 woody
 ylang ylang cananga

natural occurrence in :
data pageallamanda cathartica linn. flower oil brazil @ 0.10%
data pageambrette seed concrete @ 0.22%
data pageamyris wood oil @ 0.50%
data pageartemisia campestris spp. glutinosa flower oil italy @ 0.80%
data pageartemisia variabilis flower oil italy @ 0.30%
data pageayou wood oil @ 6.50%
data pagebergamot oil @ 0.007-0.036%
data pageblood orange oil (citrus sinensis l. var. sanguinello) italy @ 0.004%
data pageblood orange oil (citrus sinensis l. var. tarocco) italy @ 0.004%
data pageblood orange oil italy @ 0.006%
data pagecedrela wood oil @ 8.00%
data pagechampaca concrete @ 0.40%
data pagecinnamomum fragrans baillon leaf oil madagascar @ 0.40%
data pagecinnamomum fragrans baillon leaf oil madagascar @ 0.70%
data pagecistus oil @ 0.2%
data pagecouroupita guianensis aubl. flower oil brazil @ 0.20%
data pagecroton cajucara benth. leaf oil brazil @ 12.60%
data pagecroton flavens l. (welensali) leaf oil curacao @ 0.40%
data pagecubeb oil @ 1.45%
data pagecurry fruit oil india @ 0.10%
data pagecurry leaf oil india @ 0.30%
data pageeschweilera coriacea (a. p. dc.) mori flower oil brazil @ 0.20%
data pagefleabane oil @ 0.30%
data pagegenet absolute @ 0.50%
data pagegrapefruit oil c.p. @ 0.02%
data pagegrapefruit oil CO2 extract @ 0.15%
data pageguava leaf oil cuba @ 19.20%
data pagejambu flower oil brazil @ 0.90%
data pagekewda oil @ trace%
data pagelaurel leaf oil turkey @ 0.10%
data pagelaurel leaf oil turkey @ 0.80%
data pagelavender oil france @ 0.08%
data pagelayana oil kenya @ trace%
data pagelime oil distilled mexico @ 0.01%
data pagelime oil expressed florida @ trace%
data pagemandarin oil uruguay @ trace%
data pagemangrove bark red oil cuba @ 0.40%
data pagemanuka var. eximium oil australia @ 0.40%
data pagemanuka var. scoparium oil new zealand @ 0.24%
data pagemicrostrobos fitzgeraldii leaf oil australia @ 0.40%
data pagemikania cordata (burm. f.) b.l. robinson var. cordata leaf oil france @ 0.70%
data pagemyrrhinium atropurpureum schott leaf oil brazil @ 2.50%
data pagemyrtle lemon scented leaf oil australia @ 0.60%
data pagenepeta betonicifolia c.a. meyer oil turkey @ 0.10%
data pagenepeta racemosa lam. oil iran @ 8.80%
data pageneroli bigarde oil france @ 1.09%
data pageneroli oil CO2 extract @ 1.21%
data pageorange peel oil bitter italy @ 0.07%
data pageorange peel oil sweet c.p. blond italy @ 0.004%
data pageorange peel oil sweet c.p. blond italy @ 0.004%
data pageorange peel oil sweet c.p. blond italy @ 0.004%
data pageorange peel oil sweet c.p. blond italy @ 0.004%
data pageorange peel oil sweet c.p. blond italy @ 0.004%
data pageorthodon dianthera maxim. oil vietnam @ 0.90%
data pagepalmarosa oil @ 0.10%
data pagepersea americana mill. fruit oil cuba @ 90.00%
data pagepetitgrain combava oil @ 0.18%
data pagephoebe oil brazil @ 0.74%
data pagepteronia oil @ 0.80%
data pagerue oil cuba @ 0.26%
data pagesandalwood oil east indian @ 0.06%
data pagesatureja viminea l. oil costa rica @ 0.20%
strawberry
data pagevassoura oil @ 15.00%
data pageverbena oil france @ 0.70%
data pagewitch hazel leaf oil @ 0.17%
data pagewormwood oil italy @ trace%
data pageyarrow oil greece @ trace%
data pageylang ylang oil @ 0.13%



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