undecanol
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IUPAC name :undecan-1-ol
InChI :InChI=1/C11H24O/c1-2-3-4-5-6-7-8-9-10-11-12/h12H,2-11H2,1H3
InChIKey :KJIOQYGWTQBHNH-UHFFFAOYAP
SMILES :CCCCCCCCCCCO
cas number :112-42-5
(EINECS) number :203-970-5
beilstein number :1698334
fema number :3097
coe number :751
jecfa number :106
fl. number :02.057
molar refractivity :54.54 ± 0.3 cm3
parachor :486.5 ± 4.0 cm3
index of refraction :1.438 ± 0.02
surface tension :30.1 ± 3.0 dyne/cm
density :0.829 ± 0.06 g/cm3
polarizability :21.62 ± 0.5 10-24cm3
XlogP : 4.80
molecular weight : 172.3076600
formula :C11 H24 O
BioActivity Analysis :474031
NMR Predictor :Predict
 
 
export tariff code :2905.19.0060
fda reg :172.515

Suppliers :
Penta :alcohol C-11 undecylic
Sigma-Aldrich-SAFC :Undecyl alcohol
97%, Kosher
Odor:  grape; lemon; lime; green; sweet

organoleptics :
odor type :waxy
odor strength :medium
odor description :¹
at 100.00 %.  
fresh waxy rose soapy clean clothes floral citrus
odor sample from :Sigma-Aldrich Inc.
substantivity :192  Hour(s)

properties :
appearence :colorless clear liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.82000 to 0.84000 @ 25.00 °C.
pounds per gallon - calc. : 6.823 to 6.990
refractive index :1.43700 to 1.44300 @ 20.00 °C.
melting point : 11.00 to 14.00 °C. @ 760.00 mm Hg
boiling point : 146.00 °C. @ 30.00 mm Hg
boiling point : 242.00 to 243.00 °C. @ 760.00 mm Hg
flash point :> 230.00  °F.  TCC  ( > 110.00 °C. )
logP (o/w) : 4.60

safety :
most important hazard(s) :Xi - Irritant
  R 38 - Irritating to skin.
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 37 - Wear suitable gloves.
Oral Toxicity(LD50) :
  Oral-Rat    3000.00  mg/kg
Journal of Industrial Hygiene and Toxicology. Vol. 26, Pg. 269, 1944.

Dermal Toxicity(LD50) :
  Skin-Rabbit  4760.00  ul/kg
Union Carbide Data Sheet. Vol. 2/21/1958,

Skin-Guineapig  >20.00  mg/kg

Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
 
recommendation for undecanol usage levels up to :
  4.0000 % in the fragrance concentrate.

safety references :
EPI System :view
NLM Hazardous Substances Data Bank :search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
WISER :UN 3082
 
WGK Germany :2
 
 
 
 undecan-1-ol
(EINECS) number :203-970-5
RTECS :YQ3155000 for 112-42-5
chemidplus :000112425
EPA/NOAA CAMEO :hazardous materials
EPA Substance Registry Services :112-42-5
dtp/nci :403667

references :
 undecan-1-ol
fl. number :02.057
jecfa number :106
NIST Chemistry WebBook :4167574964
pubchem :151314

Cosmetics :
Cosmetic uses : antiseborrhoeic agents
emollients
masking agents
skin conditioning
viscosity controlling agents

other :
reference : Luebke, William tgsc, (1993)¹
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
synonyms :
 alcohol C-11 undecylic
 decyl carbinol
 hendecanoic alcohol
1-hendecanol
 hendecyl alcohol
 hendecylenic alcohol
N-hendecylenic alcohol
 undecan-1-ol
N-undecan-1-ol
1-undecanol
N-undecanol
 undecyl alcohol
1-undecyl alcohol
N-undecyl alcohol

soluble in :
 alcohol
 fixed oils
 water, 19.1 mg/L @ 25C

insoluble in :
 water

stability :
 non-discoloring in most media
 shampoo

(odor and/or flavor) blends with :
 algae absolute
 allspice oil
 allyl amyl glycolate
 amber carbinol
 ambrette seed oil
 ambroxan
isoamyl salicylate
 amyris wood oil
 angelica root oil
 animal carbolactone
para-anisaldehyde
para-anisyl alcohol
 bay leaf oil
 beeswax absolute
 benzoin resinoid
 benzophenone
 benzyl benzoate
 benzyl isoeugenol
 benzyl laurate
 benzyl salicylate
 bergamot oil
 blood orange oil
 bois de rose oil
isobornyl acetate
laevo-bornyl acetate
isobutyl cinnamate
 butyl laurate
isobutyl quinoline
isobutyl quinoline
 carrot seed oil
 cassia bark oil
 cedarwood oils
 cistus oil
 citronellol
 clary sage oil
 clover nitrile
 coriander seed oil
 costus valerolactone
 coumarin
 cyclamen aldehyde
9-decen-1-al
 decyl acetate
 decyl butyrate
 dimethyl benzyl carbinol
 dimethyl octanol
 dodecanal
 dodecanol
 ethyl cinnamate
 ethyl laurate
 ethyl vanillin
isoeugenyl acetate
 fir balsam absolute
 fir needle oil
 floral pyranol
 frankincense oil
 galbanum oil
(E)-geranyl acetone
 grapefruit pentanol
 green acetate
 guaiacwood oil
 gurjun balsam oil
 hay absolute
 heliotropin
 heliotropyl acetone
gamma-heptalactone
2-heptyl tetrahydrofuran
gamma-hexalactone
(Z)-3-hexen-1-yl salicylate
 hexyl butyrate
alpha-hexyl cinnamaldehyde
 ho leaf oil
 hyacinth ether
 hydroxycitronellal
 labdanum resinoid
 leerall
 linalool
laevo-linalool
 linalool oxide
 linalyl acetate
 longifolene
 marine pyridine
 melon nonenoate
 methyl cedryl ketone
 methyl cinnamate
 methyl dihydrojasmonate
 methyl ionones
 methyl laurate
 methyl undecylenate
 mimosa absolute
 muguet carboxaldehyde
 musks
beta-naphthyl ethyl ether
 nerol
 nerolidol
 nonanal
 nonanol
 nopyl acetate
 oakmoss absolute
 ocean propanal
 octyl isobutyrate
 patchouli ethanone
 patchouli oil
 peony alcohol
 pepper oil black
 phenethyl alcohol
 phenethyl phenyl acetate
 phenethyl salicylate
 phenyl acetaldehyde dimethyl acetal
3-phenyl propyl alcohol
 rhodinol
 rose butanoate
 rose oxides
 santall
alpha-terpineol
 tetrahydrolinalool
 tmh aldehyde
 tobacco dodecane
 tonka bean absolute
 undecanal
2-undecanol
10-undecen-1-al
10-undecen-1-ol
(E)-2-undecen-1-yl acetate
10-undecen-1-yl acetate
 verymoss
 vetiver oil
 violet methyl carbonate
 watermelon ketone
 waxy acetate
 woody acetate
 woody amylene
 woody propanol

(odor and/or flavor) used in :
 agrumen
 aldehydic
 amber
 ambrette
 animal
 apple crabapple
 artichoke
 ash mountain ash blossom
 azalea
 balsam
 bark
 boxwood blossom
 boxwoodberry
 burberry
 cabreuva
 calamus
 carnation dianthus oeillet
 carrot seed
 cassia blossom
 cassie acacia farnesiana
 cherry wild cherry
 chestnut blossom
 chocolate cacao
 chrysanthemum chrysantheme
 chypre
 cilantro
 citrus
 clean
 cloth clean cloths
 clover trefle le'trefle incarnat
 coconut
 colonia
 cranberry
 cumin
 curacao
 dahlia
 daisy
 daphne
 dogwood
 elder blossom
 fern fougere
 fir balsam
 floral
 flouve blossom
 foliage
 fresh
 freshener
 fruit dried fruit
 gardenia
 ginger white ginger
 green
 habuba
 heather
 hinoki
 incense
 iris blossom
 ivy leaf
 jasmin
 labdanum
 leather
 lemongrass
 lilac lilas syringa
 lily
 linden blossom limeflower tilleul
 meadow
 mimosa wattle
 modifier
 moss
 new car
 oakwood
 ocean sea
 orchid
 orris iris
 ozone
 patchouli
 petitgrain tangerine petitgrain
 petunia
 phlox
 pomegranate
 poppy
 privet
 rain
 rhubarb
 saffron
 sandalwood
 savin
 soapy
 truffle
 tuberose tubereuse
 tulip
 watercress nasturtium
 waxy
 woody

natural occurrence in :
citrus fruits
data pagecoriander leaf oil @ 0.03-0.07%
data pageglycosmis pentaphylla (cor.) bark oil india @ 0.30%
data pagelime oil distilled mexico @ 0.03%
data pagelime oil distilled peru @ 0.01%



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