dimethyl benzyl carbinyl formate
alpha,alpha-dimethylphenethyl formate
 
Notes:
Flavouring ingredient with a spicy taste
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(2-methyl-1-phenylpropan-2-yl) formate (Click)
CAS Number: 10058-43-2Picture of molecule
FDA UNII: 48E8S6VRQ8
Nikkaji Web: J414.427I
CoE Number: 353
XlogP3-AA: 2.70 (est)
Molecular Weight: 178.23098000
Formula: C11 H14 O2
NMR Predictor: Predict (works with chrome or firefox)
Also(can) Contains: dimethyl benzyl carbinol 5.00% to 7.00%
EFSA/JECFA Comments: According to the JECFA: Min. assay value is 93 % and secondary component 5-7 % alpha,alpha-dimethylphenethyl alcohol.
Category: flavor and 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
Perfumer and Flavorist: Search
Google Patents: Search
US Patents: Search
EU Patents: Search
IBM Patents: Obtain
Obtain
Pubchem Patents: Search
JECFA Food Flavoring: 1654  alpha,alpha-dimethylphenethyl formate
Flavis Number: 09.086 (Old)
DG SANTE Food Flavourings: 09.086  (2-methyl-1-phenylpropan-2-yl) formate
FEMA Number: 2395  alpha,alpha-dimethylphenethyl formate
FDA Mainterm: ALPHA,ALPHA-DIMETHYLPHENETHYL FORMATE
FDA Regulation:
FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION
Subpart F--Flavoring Agents and Related Substances
Sec. 172.515 Synthetic flavoring substances and adjuvants.
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 93.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 1.02400 to 1.03200 @  25.00 °C.
Pounds per Gallon - (est).: 8.521 to  8.587
Refractive Index: 1.49900 to 1.50200 @  20.00 °C.
Boiling Point: 221.00 to  222.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.015000 mm/Hg @ 25.00 °C. (est)
Flash Point: 247.00 °F. TCC ( 119.44 °C. )
logP (o/w): 2.640 (est)
Shelf Life: 24.00 month(s) or longer if stored properly.
Storage: store in cool, dry place in tightly sealed containers, protected from heat and light.
Soluble in:
 alcohol
 water, slightly
 water, 189 mg/L @ 25 °C (est)
Insoluble in:
 water
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allyl formate
amyl formate
isoamyl formate
para-anisyl formate
benzyl formate
bornyl formate
isobornyl formate
butyl formate
isobutyl formate
sec-butyl formate
carvyl formate
cedryl formate
cinnamyl formate
citronellyl formate
para-cresyl formate
cyclododecyl formate
cyclohexyl formate
2-decalinyl formate
decyl formate
ethyl formate
eugenyl formate
isoeugenyl formate
furfuryl formate
S-furfuryl thioformate
geranyl formate
heptyl formate
(E)-2-hexen-1-yl formate
(E)-3-hexen-1-yl formate
3-hexen-1-yl formate
(Z)-3-hexen-1-yl formate
hexyl formate
linalyl formate
menthadienyl formate
menthyl formate
laevo-menthyl formate
2-methyl butyl formate
methyl formate
myrtenyl formate
neryl formate
nonisyl formate
nonyl formate
nopyl formate
octyl formate
3-octyl formate
phenethyl formate
2-phenoxyethyl formate
3-phenyl propyl formate
prenyl formate
propyl formate
isopropyl formate
isopulegyl formate
rhodinyl formate
styralyl formate
sulfuryl formate
terpinyl formate
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Organoleptic Properties:
Odor Type: herbal
Odor Strength: medium
 dry  herbal  green  lily  jasmin  
Odor Description:
at 100.00 %. 
dry herbal green lily jasmin
Luebke, William tgsc, (1985)
Substantivity: 72 Hour(s)
  
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Cosmetic Information:
None found
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Suppliers:
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
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Safety Information:
European information :
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
 
Pictogram
 
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: flavor and fragrance agents
Recommendation for dimethyl benzyl carbinyl formate usage levels up to:
  5.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.12 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.40 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 3900 (μg/person/day)
Threshold of Concern:1800 (μg/person/day)
Structure Class: I
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 3
Click here to view publication 3
 average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): -2.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -10.00000
fruit ices: -10.00000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -10.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: --
sugar substitutes: --
sweet sauces: --
 
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 89 (FGE.89): Consideration of phenyl-substituted aliphatic tertiary alcohols and related aldehydes and esters evaluated by JECFA (63rd and 68th meetings) structurally related to aliphatic, alicyclic and aromatic saturated and unsaturated tertiary alcohols, aromatic tertiary alcohols and their esters evaluated by EFSA in FGE.18Rev1 (2009)
View page or View pdf
EPI System: View
EPA Substance Registry Services (TSCA): 10058-43-2
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 61464
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 2
 (2-methyl-1-phenylpropan-2-yl) formate
Chemidplus: 0010058432
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References:
 (2-methyl-1-phenylpropan-2-yl) formate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 10058-43-2
Pubchem (cid): 61464
Pubchem (sid): 135017307
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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
FDA Everything Added to Food in the United States (EAFUS): View
HMDB (The Human Metabolome Database): HMDB36235
FooDB: FDB015093
Export Tariff Code: 2915.13.0000
ChemSpider: View
Read: Under the conditions of intended use - New developments in the FEMA GRAS program and the safety assessment of flavor ingredients
Read: A GRAS assessment program for flavor ingredients
Read: Sensory testing for flavorings with modifying properties. Food Technology
Read: Criteria for the safety evaluation of flavoring substances
Read: A procedure for the safety evaluation of natural flavor complexes used as ingredients in food: essential oils
Read: FEMA Expert Panel: 30 Years of safety evaluation for the flavor industry
Read: Consumption ratio and food predominance of flavoring materials
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Potential Blenders and core components note
 
For Odor
aldehydic
 lily pentanalFR
animal
isobutyl quinolineFR
balsamic
 cinnamyl formateFL/FR
 guaieneFL/FR
creamy
 waxy lactoneFL/FR
ethereal
 ethyl 4-pentenoateFL/FR
fatty
(E)-2-octenalFL/FR
floral
alpha-amyl cinnamaldehyde dimethyl acetalFL/FR
alpha-butyl cinnamaldehydeFL/FR
 dihydroisojasmonate methyl esterFR
 dihydrorose oxideFR
 dimethyl benzyl carbinyl acetateFL/FR
 dimethyl benzyl carbinyl butyrateFL/FR
2,4-dimethyl-3-cyclohexene-1-methanolFR
 floral butanalFR
 geranium oil africaFL/FR
 geranium oil egyptFL/FR
alpha-hexyl cinnamaldehydeFL/FR
 hydroxycitronellalFL/FR
 methyl dihydrojasmonateFL/FR
 neryl formateFL/FR
2-pentyl cyclopentanoneFR
isophytolFL/FR
(Z,E)-phytolFL/FR
 rose pyranFR
fruity
 tropical indeneFR
green
isobutyl heptanoateFL/FR
isobutyl methyl ketoneFL/FR
2-sec-butyl thiazoleFL/FR
 heptanal (aldehyde C-7)FL/FR
1-heptanolFL/FR
(Z)-4-hexen-1-olFL/FR
(E)-4-hexen-1-ol 
3-hexenyl 2-methyl butyrateFL/FR
 hexyl hexanoateFL/FR
english ivy leaf absoluteFR
 privet dioxaneFR
 seaweed absolute (fucus vesiculosus et serratus)FL/FR
herbal
6-acetoxydihydrotheaspiraneFL/FR
alpha-amyl cinnamyl formateFL/FR
 anethum graveolens herb oilFL/FR
 anthemis nobilis flower oil romanFL/FR
sweet basil absoluteFL/FR
(+)-alpha-campholenic aldehydeFL/FR
 clary sage oil greeceFL/FR
 clary sage oil sardiniaFL/FR
 clary sage oil spainFL/FR
 dill weed oil cubaFL/FR
 dill weed oil reunionFL/FR
 herbal careneFR
cis-herbal cyclohexaneFR
 herbal dioxaneFR
 herbal heptaneFR
 hop absoluteFL/FR
 hop oilFL/FR
 linalyl formateFL/FR
 linalyl octanoateFL/FR
 melaleuca leucadendron var. cajuputi leaf oilFL/FR
(E)-6-methyl-3-hepten-2-oneFL/FR
 nonisyl formateFR
1-octen-3-yl acetateFL/FR
 perillaldehydeFL/FR
 reseda absoluteFR
 tagete oil CO2 extractFL/FR
 tagete oil rwandaFL/FR
 tagete oil south africaFL/FR
 tea leaf absoluteFL/FR
 theaspiraneFL/FR
 thyme absoluteFL/FR
 tricyclodecyl acetateFR
 viridiflorolFL/FR
marine
 ozone propanalFR
minty
(-)-isopulegolFL/FR
mossy
 treemoss absoluteFR
pine
 dipentene terpene hydrocarbon byproductsFR
spicy
isobutyl angelateFL/FR
(-)-cubenolFL/FR
 cuminaldehydeFL/FR
isocyclogeraniol (IFF)FR
woody
alpha-thujene 
 verdoxanFR
 
For Flavor
 
No flavor group found for these
6-acetoxydihydrotheaspiraneFL/FR
alpha-amyl cinnamaldehyde dimethyl acetalFL/FR
alpha-amyl cinnamyl formateFL/FR
isobutyl heptanoateFL/FR
4-butyl thiazoleFL
2-sec-butyl thiazoleFL/FR
(+)-alpha-campholenic aldehydeFL/FR
 cinnamyl formateFL/FR
 ethyl 4-pentenoateFL/FR
 fig leaf absoluteFL
 guaieneFL/FR
 heptanal (aldehyde C-7)FL/FR
(E,E)-2,4-hexadien-1-olFL
 linalyl formateFL/FR
 melaleuca leucadendron var. cajuputi leaf oilFL/FR
(E)-6-methyl-3-hepten-2-oneFL/FR
(Z,E)-phytolFL/FR
2-propyl thiazoleFL
(-)-isopulegolFL/FR
 seaweed absolute (fucus vesiculosus et serratus)FL/FR
 tea leaf absoluteFL/FR
alpha-thujene 
 viridiflorolFL/FR
aromatic
 dimethyl benzyl carbinyl acetateFL/FR
cooling
 theaspiraneFL/FR
creamy
 waxy lactoneFL/FR
fatty
(E)-2-octenalFL/FR
floral
 dimethyl benzyl carbinyl butyrateFL/FR
 geranium oil africaFL/FR
 geranium oil egyptFL/FR
 methyl dihydrojasmonateFL/FR
fruity
 hexyl hexanoateFL/FR
 neryl formateFL/FR
 tagete oil CO2 extractFL/FR
 tagete oil rwandaFL/FR
 tagete oil south africaFL/FR
green
isobutyl angelateFL/FR
alpha-butyl cinnamaldehydeFL/FR
isobutyl methyl ketoneFL/FR
(E)-4-hexen-1-ol 
(Z)-4-hexen-1-olFL/FR
3-hexenyl 2-methyl butyrateFL/FR
1-octen-3-yl acetateFL/FR
herbal
 anethum graveolens herb oilFL/FR
 anthemis nobilis flower oil romanFL/FR
sweet basil absoluteFL/FR
 clary sage oil greeceFL/FR
 clary sage oil sardiniaFL/FR
 clary sage oil spainFL/FR
 dill weed oil cubaFL/FR
 dill weed oil reunionFL/FR
 hop absoluteFL/FR
 hop oilFL/FR
 linalyl octanoateFL/FR
 thyme absoluteFL/FR
oily
isophytolFL/FR
solvent
1-heptanolFL/FR
spicy
(-)-cubenolFL/FR
 cuminaldehydeFL/FR
 perillaldehydeFL/FR
waxy
alpha-hexyl cinnamaldehydeFL/FR
 hydroxycitronellalFL/FR
 
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Potential Uses:
 floralFR
 greenFR
 herbalFR
 jasminFR
 lilyFR
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
 benzeneethanol, a,a-dimethyl-, formate
 benzyl dimethyl carbinyl formate
 benzyl propyl formate
2-benzyl-2-propyl formate
alpha,alpha-dimethyl benzene ethyl formate
alpha,alpha-dimethyl phenethyl formate
alpha,alpha-dimethyl phenyl ethyl formate
alpha,alpha-dimethylphenethyl formate
 dmbc formate
2-methyl-1-phenyl-2-propyl formate
(2-methyl-1-phenylpropan-2-yl) formate
 phenethyl alcohol, a,a-dimethyl-, formate
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