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isobutyl palmitate
isobutyl hexadecanoate

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CAS Number: 110-34-9Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:203-758-2
FDA UNII:M88W0H94JB
Nikkaji Web:J150.252B
MDL:MFCD00059289
CoE Number:10715
XlogP3-AA:8.80 (est)
Molecular Weight:312.53720000
Formula:C20 H40 O2
NMR Predictor:Predict (works with chrome or firefox)
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
Pubchem Patents:Search
FLAVIS Number:09.589 (Old)
DG SANTE Food Flavourings:09.589 isobutyl hexadecanoate
FDA Mainterm (IAUFC):110-34-9 ; ISOBUTYL PALMITATE

 
Physical Properties:
Appearance:white solid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Melting Point: 20.00 °C. @ 760.00 mm Hg
Boiling Point: 352.00 to 354.00 °C. @ 760.00 mm Hg
Flash Point: 339.00 °F. TCC ( 170.56 °C. )
logP (o/w): 8.781 (est)
Soluble in:
 alcohol
 water, 0.0004265 mg/L @ 25 °C (est)
Insoluble in:
 water
Similar Items:note
isoamyl palmitate
butyl palmitate
carvyl palmitate
ethyl palmitate
3-hexen-1-yl palmitate
methyl palmitate
pentyl palmitate
propyl palmitate
isopropyl palmitate
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: emollients
skin conditioning
 
Suppliers:
BOC Sciences
For experimental / research use only.
Palmitic acid isobutyl ester
Santa Cruz Biotechnology
For experimental / research use only.
isoButyl Palmitate
Sigma-Aldrich: Aldrich
For experimental / research use only.
isoButyl Palmitate
TCI AMERICA
For experimental / research use only.
isobutyl palmitate >97.0%(GC)
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
 
Safety Information:
Preferred SDS: View
 
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
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: solvents/deluents for cosmetic, flavor and/or fragrance agents
Recommendation for isobutyl palmitate usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.24 (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
 
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
EPA Substance Registry Services (TSCA):110-34-9
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :66967
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:nwg
2-methylpropyl hexadecanoate
Chemidplus:0000110349
 
References:
 2-methylpropyl hexadecanoate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):66967
Pubchem (sid):135025609
Pherobase:View
 
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
FDA Indirect Additives used in Food Contact Substances:View
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2915.70.0150
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
RSC Learn Chemistry:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
 emollients
 skin conditioning
 
Occurrence (nature, food, other):note
 found in nature
 
Synonyms:
isobutyl hexadecanoate
 hexadecanoic acid 2-methyl propyl ester
 hexadecanoic acid 2-methylpropyl ester
 hexadecanoic acid, 2-methylpropyl ester
2-methyl propyl hexadecanoate
2-methylpropyl hexadecanoate
 palmitic acid isobutyl ester
 palmitic acid, isobutyl ester
 

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