isobutyl stearate
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      isoButyl Stearate
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2-methylpropyl octadecanoate (Click)
CAS Number: 646-13-9
ECHA EC Number: 211-466-1
Beilstein Number: 1792857
XlogP3-AA: 9.90 (est)
Molecular Weight: 340.59108000
Formula: C22 H44 O2
NMR Predictor: Predict
Category: solvents/deluents for cosmetic, flavor and/or fragrance agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar: Search
Google Books: Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Google Patents: Search
US Patents: Search
EU Patents: Search
IBM Patents: Obtain
Pubchem Patents: Search
PubMed: Search
NCBI: Search
Flavis Number: 09.592 (Old)
EU SANCO Food Flavourings: 09.592  isobutyl octadecanoate

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Physical Properties:
Appearance: colorless waxy oily solid (est)
Assay: 98.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.85000 to 0.85400 @  25.00 °C.
Pounds per Gallon - (est).: 7.073 to  7.106
Refractive Index: 1.44100 @  25.00 °C.
Melting Point: 28.90 °C. @ 760.00 mm Hg
Boiling Point: 200.00 °C. @ 4.00 mm Hg
Acid Value: 1.00 max. KOH/g
Saponification Value: 170.00 to 180.00
Vapor Pressure: 0.000020 mm/Hg @ 25.00 °C. (est)
Flash Point: > 212.00 °F. TCC ( > 100.00 °C. )
logP (o/w): 9.800 (est)
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Organoleptic Properties:
Odor Type: fatty
Odor Strength: low
Odor Description:
at 100.00 %. 
mild fatty
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: emollients
skin conditioning
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isoButyl Stearate
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Safety Information:
European information :
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.
Hazards identification
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: solvents/deluents for cosmetic, flavor and/or fragrance agents
Recommendation for isobutyl stearate usage levels up to:
 not for fragrance use.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.0012 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 3900 (μg/person/day)
Threshold of Concern:1800 (μg/person/day)
Structure Class: I
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 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 (EFSA, 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
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Safety References:
European Food Safety Athority(efsa): Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
European Food Safety Authority (EFSA) reference(s):
Flavouring Group Evaluation 2, Revision 1 (FGE.02) : Branched- and straight-chain aliphatic saturated primary alcohols and related esters of primary alcohols and straight-chain carboxylic acids and one straight-chain aldehyde from chemical groups 1 and 2 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)
View page or View pdf
EPI System: View Calculate predicted properties
NLM Hazardous Substances Data Bank: Search
Toxicology Citations: Search
EPA Substance Registry Services (TSCA): 646-13-9
EPA ACToR: Toxicology Data
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: nwg
 2-methylpropyl octadecanoate
Chemidplus: 0000646139
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 2-methylpropyl octadecanoate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 646-13-9
Pubchem (cid): 12588
Pubchem (sid): 134976962
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Other Information:
(IUPAC): Atomic Weights of the Elements 2009
(IUPAC): Atomic Weights of the Elements 2009 (pdf)
Videos: The Periodic Table of Videos
tgsc: Atomic Weights use for this web site
(IUPAC): Periodic Table of the Elements
HMDB (The Human Metabolome Database): Search
Haz-Map: View
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
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Potential Blenders and core components note
None Found
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Potential Uses:
 skin conditioning 
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Natural Occurrence in: note
 pequi fruit
GRIN Trop Picture
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isobutyl octadecanoate
2-methyl propyl octadecanoate
2-methylpropyl octadecanoate
 octadecanoic acid 2-methyl propyl ester
 octadecanoic acid, 2-methylpropyl ester
 stearic acid 2-methyl propyl ester
 stearic acid, 2-methylpropyl ester
 stearic acid, isobutyl ester
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Picture of molecule
Soluble in:
 fixed oils
 mineral oil
 water, 4.21e-005 mg/L @ 25 °C (est)
Insoluble in:
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