cetyl acetate
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IUPAC name :hexadecyl acetate
InChI :InChI=1/C18H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18(2)19/h3-17H2,1-2H3
InChIKey :LSTDYDRCKUBPDI-UHFFFAOYAB
SMILES :CCCCCCCCCCCCCCCCOC(=O)C
cas number :629-70-9
(EINECS) number :211-103-7
beilstein number :1782695
fl. number :09.574
molar refractivity :87.21 ± 0.3 cm3
parachor :773.0 ± 4.0 cm3
index of refraction :1.442 ± 0.02
surface tension :30.4 ± 3.0 dyne/cm
density :0.864 ± 0.06 g/cm3
polarizability :34.57 ± 0.5 10-24cm3
XlogP : 6.90
XlogP3 : 7.70
molecular weight : 284.4772400 (IUPAC)
formula :C18 H36 O2
pherobase floral:view
NMR Predictor :Predict
 
 
export tariff code :2915.39.9050
fda reg :unspecified

Suppliers :
Inoue :HEXADECYL ACETATE
Nanjing :cetyl acetate
orders in chinese only.
Penta :cetyl acetate
Vigon :Cetyl Acetate

organoleptics :

properties :
appearence :colorless solid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.85600 to 0.86200 @ 25.00 °C.
pounds per gallon - calc. : 7.123 to 7.173
refractive index :1.43900 to 1.44500 @ 20.00 °C.
boiling point : 322.00 to 323.00 °C. @ 760.00 mm Hg
flash point : 295.00  °F.  TCC  ( 146.11 °C. )
logP (o/w) : 7.74
shelf life : 12.00 month(s) or longer if stored properly.
storage :refrigerate in tightly sealed containers.  store under nitrogen.

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.
Oral Toxicity(LD50) : 
  Oral-Rat    >5000.00  mg/kg
Food and Chemical Toxicology. Vol. 21, Pg. 663, 1983.

Dermal Toxicity(LD50) : 
  Skin-Rabbit  >5000.00  mg/kg
Food and Chemical Toxicology. Vol. 21, Pg. 663, 1983.

Inhalation Toxicity(LC50) : 
  Not determined
 

safety in use :
Maximised Survey-derived Daily Intakes (MSDI-EU) :0.012 (μg/capita/day)
modified Theoretical Added Maximum Daily Intake (mTAMDI) :3900 (μg/person/day)
Threshold of concern :1800 (μg/person/day)
Category :cosmetic agents
 
recommendation for cetyl acetate fragrance usage levels up to :
 not for fragrance use.
recommendation for cetyl acetate flavor usage levels up to :
 not for flavor use.
 
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFFA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFFA, 2002i).
Note : mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0) : 7.0000035.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0) : 5.0000025.00000
Edible ices, including sherbet and sorbet (03.0) : 10.0000050.00000
Processed fruit (04.1) : 7.0000035.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2) : --
Confectionery (05.0) : 10.0000050.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0) : 5.0000025.00000
Bakery wares (07.0) : 10.0000050.00000
Meat and meat products, including poultry and game (08.0) : 2.0000010.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0) : 2.0000010.00000
Eggs and egg products (10.0) : --
Sweeteners, including honey (11.0) : --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0) : 5.0000025.00000
Foodstuffs intended for particular nutritional uses (13.0) : 10.0000050.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1) : 5.0000025.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2) : 10.0000050.00000
Ready-to-eat savouries (15.0) : 20.00000100.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0) : 5.0000025.00000

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
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :2
 
 
 
 
hexadecyl acetate
(EINECS) number :211-103-7
RTECS :MM0225200 for cas# 629-70-9
chemidplus :000629709
EPA Substance Registry Services :629-70-9
dtp/nci :8492

references :
 
hexadecyl acetate
fl. number :09.574
NIST Chemistry WebBook :2106401374
pubchem :155714

Cosmetics :
Cosmetic uses : emollients
masking agents
skin conditioning

other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
RIFM :listed
Household Products : Search
synonyms :
 acetic acid hexadecyl ester
1-acetoxyhexadecane
 hexadec-1-yl acetate
1-hexadecanol acetate
 hexadecyl acetate
 hexadecyl ethanoate
 palmityl acetate

soluble in :
 alcohol

insoluble in :
 water

potential uses :
 emollients
 skin conditioning

natural occurrence in :    note
 rosa canina S
 rosa rugosa S

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