hexadecanol
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IUPAC name :hexadecan-1-ol
InChI :InChI=1/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3
InChIKey :BXWNKGSJHAJOGX-UHFFFAOYAS
SMILES :CCCCCCCCCCCCCCCCO
cas number :36653-82-4
(EINECS) number :253-149-0
beilstein number :1748475
fema number :2554
coe number :57
jecfa number :114
fl. number :02.009
molar refractivity :77.70 ± 0.3 cm3
parachor :685.4 ± 4.0 cm3
index of refraction :1.448 ± 0.02
surface tension :31.1 ± 3.0 dyne/cm
density :0.835 ± 0.06 g/cm3
polarizability :30.80 ± 0.5 10-24cm3
XlogP : 6.20
molecular weight : 242.4405600 (IUPAC)
formula :C16 H34 O
BioActivity Analysis :70568
NMR Predictor :Predict
 
 
export tariff code :2905.17.0000
fda reg :172.515
172.864
175.105
175.300
176.200
177.1200
73.1
73.1001

Suppliers :
Penta :alcohol C-16
Sigma-Aldrich-SAFC :1-Hexadecanol
≥99%
Odor:  waxy; floral
Vigon :Cetyl Alcohol
Blend

organoleptics :
odor type :waxy
odor strength :low
odor description :¹
at 100.00 %.  
waxy floral
substantivity :132  Hour(s)

properties :
appearence :white solid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
melting point : 50.00 to 55.00 °C. @ 760.00 mm Hg
boiling point : 179.00 to 181.00 °C. @ 10.00 mm Hg
boiling point : 344.00 °C. @ 760.00 mm Hg
congealing point :46.00 °C.
vapor pressure :0.00003 mm/Hg @ 30.00 °C.
vapor density :8.34 ( Air = 1 )
flash point : 275.00  °F.  TCC  ( 135.00 °C. )
logP (o/w) : 6.73

safety :
most important hazard(s) :None - None found.
  S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
Human experience : 12 % solution: no irritation or sensitization.
Oral Toxicity(LD50) :
  Oral-Rat    5.00  gm/kg

Intraperitoneal-Mouse    1600.00  mg/kg

Oral-Mouse    3200.00  mg/kg

Dermal Toxicity(LD50) :
  Skin-Rabbit  >2600.00  mg/kg

Skin-Guineapig  10000.00  mg/kg

Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
 
recommendation for hexadecanol usage levels up to :
  6.0000 % in the fragrance concentrate.
recommendation for hexadecanol usage levels up to :
  2.0000 ppm in the flavor.

safety references :
EPI System :view
NLM Hazardous Substances Data Bank :search
Chemical Carcinogenesis Research Information System :Search
Cancer Citations :Search
Toxicology Citations :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :NWG
 
 
 
 hexadecan-1-ol
(EINECS) number :253-149-0
RTECS :MM0225000 for 36653-82-4
chemidplus :036653824
EPA Substance Registry Services :36653-82-4
dtp/nci :4194

references :
 hexadecan-1-ol
fl. number :02.009
jecfa number :114
NIST Chemistry WebBook :1858316139
pubchem :178866

Cosmetics :
Cosmetic uses : emollients
emulsifying agents
emulsion stabilisers
foam boosting agents
masking agents
opacifying agents
surfactants
viscosity controlling agents

other :
reference : Luebke, William tgsc, (1981)¹
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
Household Products : Search
synonyms :
 alcohol C-16
 cetyl alcohol
 cetylic alcohol
 cyclal cetyl alcohol
 hexadecan-1-ol
1-hexadecanol
1-hexadecyl alcohol
N-hexadecyl alcohol
 palmityl alcohol

soluble in :
 alcohol
 water, 0.0134 mg/L @ 25C

insoluble in :
 water

(odor and/or flavor) blends with :
 citronellyl nitrile
 citronellyl oxyacetaldehyde
 cyclohexyl ethyl alcohol
9-decen-1-al
 ethyl laurate
 heptyl formate
 hexyl 2-furoate
 lily absolute
 mandarine undecenal
 methyl citronellate
 methyl heptanoate
(Z)-nerolidol
3-nonanon-1-yl acetate
 phenethyl hexanoate
(Z)-8-undecen-1-al
10-undecen-1-ol
 waxy aldehyde

(odor and/or flavor) used in :
 emollients
 emulsifying agents
 emulsion stabilisers
 floral
 foam boosting agents
 opacifying agents
 surfactants
 viscosity controlling agents

natural occurrence in :
data pageangelica seed oil CO2 extract @ 0.60%
data pagecochlospermum tinctorium oil @ 0.30%
data pagecouroupita guianensis aubl. flower oil brazil @ 0.20%
spermaceti oil
data pagewitch hazel leaf oil @ 0.10%



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