EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

benzoin
2-hydroxy-2-phenylacetophenone

Supplier Sponsors

Name:2-hydroxy-1,2-diphenylethanone
CAS Number: 119-53-9Picture of molecule3D/inchi
Other:579-44-2
ECHA EINECS - REACH Pre-Reg:204-331-3
FDA UNII:L7J6A1NE81
Nikkaji Web:J20.621K
Beilstein Number:0391839
MDL:MFCD00004496
CoE Number:162
XlogP3:2.10 (est)
Molecular Weight:212.24804000
Formula:C14 H12 O2
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome or firefox)
Also(can) Contains:(R)-benzoin
 (S)-benzoin
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
Pubchem Patents:Search
PubMed:Search
NCBI:Search
JECFA Food Flavoring:836 benzoin
FLAVIS Number:07.028 (Old)
DG SANTE Food Flavourings:07.028 benzoin
FEMA Number:2132 benzoin
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):119-53-9 ; BENZOIN
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.


FDA PART 73 -- LISTING OF COLOR ADDITIVES EXEMPT FROM CERTIFICATION
Subpart A--Foods
Sec. 73.100 Cochineal extract; carmine.
 
Physical Properties:
Appearance:pale yellow crystalline monoclinic prisms (est)
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Melting Point: 137.00 to 138.00 °C. @ 760.00 mm Hg
Melting Point: 132.00 to 137.00 °C. @ 760.00 mm Hg
Boiling Point: 194.00 °C. @ 12.00 mm Hg
Boiling Point: 344.00 °C. @ 760.00 mm Hg
Flash Point: 311.00 °F. TCC ( 154.80 °C. ) (est)
logP (o/w): 2.130
Soluble in:
 acetone
 alcohol
 water, 300 mg/L @ 25 °C (exp)
 
Organoleptic Properties:
Odor Type: balsamic
Odor Strength:medium ,
recommend smelling in a 10.00 % solution or less
balsamic vanilla medicinal camphoreous
Odor Description:at 10.00 % in dipropylene glycol. balsamic vanilla medicinal camphoreous
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
Aceto
Benzoin
Augustus Oils
Benzoin Powder
Services
BOC Sciences
For experimental / research use only.
Benzoin
Carbosynth
For experimental / research use only.
Benzoin
EMD Millipore
For experimental / research use only.
Benzoin
Glentham Life Sciences
Benzoin
Parchem
Benzoin
Penta International
BENZOIN POWDER NATURAL, Kosher
Penta International
BENZOIN, Kosher
Santa Cruz Biotechnology
For experimental / research use only.
Benzoin
Sigma-Aldrich
For experimental / research use only.
Benzoin analytical standard
TCI AMERICA
For experimental / research use only.
Benzoin >98.0%(GC)
 
Safety Information:
Preferred SDS: View
European information :
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.
 
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:
oral-rat LD50 10000 mg/kg
Food and Cosmetics Toxicology. Vol. 11, Pg. 871, 1973.

oral-mouse LD50 > 3000 mg/kg
BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 15, Pg. 359, 1984.

Dermal Toxicity:
skin-rabbit LD50 8870 mg/kg
Food and Cosmetics Toxicology. Vol. 11, Pg. 871, 1973.

Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavor and fragrance agents
Recommendation for benzoin usage levels up to:
  2.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 6.20 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 21.00 (μg/capita/day)
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
 average usual ppmaverage maximum ppm
baked goods: -1.40000
beverages(nonalcoholic): -4.50000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -0.54000
fruit ices: -0.54000
gelatins / puddings: -0.10000
granulated sugar: --
gravies: --
hard candy: -2.00000
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: --
 
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 69, (FGE.69)[1] - Consideration of aromatic substituted secondary alcohols, ketones and related esters evaluated by JECFA (57th meeting) structurally related to aromatic ketones from chemical group 21 evaluated by EFSA in FGE.16 (2006) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food
View page or View pdf

EPI System: View
ClinicalTrials.gov:search
Daily Med:search
NIOSH International Chemical Safety Cards:search
NLM Hazardous Substances Data Bank:Search
Chemical Carcinogenesis Research Information System:Search
Cancer Citations:Search
Toxicology Citations:Search
Carcinogenic Potency Database:Search
EPA GENetic TOXicology:Search
Env. Mutagen Info. Center:Search
NLM Developmental and Reproductive Toxicity:Search
EPA Substance Registry Services (TSCA):119-53-9
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :8400
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
2-hydroxy-1,2-diphenylethanone
Chemidplus:0000119539
EPA/NOAA CAMEO:hazardous materials
RTECS:119-53-9
 
References:
 2-hydroxy-1,2-diphenylethanone
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:119-53-9
Pubchem (cid):8400
Pubchem (sid):134974550
 
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 Substances Added to Food (formerly EAFUS):View
CHEBI:View
CHEMBL:View
KEGG (GenomeNet):C01408
HMDB (The Human Metabolome Database):HMDB32039
FooDB:FDB012830
YMDB (Yeast Metabolome Database):YMDB00336
Export Tariff Code:2914.49.4000
Haz-Map:View
ChemSpider:View
Wikipedia:View
RSC Learn Chemistry:View
 
Potential Blenders and core components note
For Odor
anisic
para-
acetanisole
FL/FR
ortho-
anisaldehyde
FL/FR
balsamic
sumatra
benzoin absolute
FL/FR
siam
benzoin absolute
FL/FR
benzoin absolute replacer
FL/FR
sumatra
benzoin gum
FL/FR
sumatra
benzoin resin
FL/FR
siam
benzoin resin
FL/FR
benzoin resin replacer
FR
siam
benzoin resinoid
FL/FR
sumatra
benzoin resinoid
FL/FR
benzoin resinoid replacer
FR
1-
benzoyl acetone
FL/FR
iso
bornyl formate
FL/FR
peru balsam oil
FL/FR
peru balsam replacer
FR
peru balsam resinoid
FL/FR
camphoreous
dextro-
camphor
FL/FR
melaleuca viridiflora leaf oil
FR
chocolate
vanillyl ethyl ether
FL/FR
coumarinic
coumane
FL/FR
creamy
para-
vanillic acid
FL/FR
para-
vanillyl alcohol
FL/FR
veratraldehyde
FL/FR
floral
para-
cresyl laurate
FL/FR
heliotropin
FL/FR
fruity
vanilla carboxylate
FL/FR
herbal
1,8-
cineole
FL/FR
eucalyptus globulus oil
FL/FR
eucalyptus oil replacer
FR
piperitone
FL/FR
rosemary oleoresin
FL/FR
white
thyme oil
FL/FR
thyme oil (thymus zygis gracillis) spain
FL/FR
red
thyme oil spain
FL/FR
thymol
FL/FR
minty
menthoxypropane diol
FL/FR
vanillin menthoxypropane diol acetal
FL/FR
naphthyl
2,4-
dimethyl benzaldehyde
FL/FR
1-
methyl naphthalene
FL/FR
phenolic
ethyl vanillate
FL/FR
ortho-
guaiacol
FL/FR
powdery
para-
anisyl acetate
FL/FR
smoky
alpha-
ethoxy-ortho-cresol
FL/FR
spicy
para-
anisyl formate
FL/FR
cardamom oil replacer
FR
dianthus ethone
FR
elettaria cardamomum seed oil
FL/FR
elettaria cardamomum seed oil guatemala
FL/FR
(E)-para-
methoxycinnamaldehyde
FL/FR
para-
methoxycinnamaldehyde
FL/FR
4-
methyl guaiacol
FL/FR
zingerone
FL/FR
sweet
vanilla oleoresin bali
FL/FR
vanilla resinoid
FL/FR
tonka
coumarin
FR
vanilla
acetovanillone
FL/FR
ortho-
dimethyl hydroquinone
FL/FR
ethyl vanillin
FL/FR
ethyl vanillin isobutyrate
FL/FR
ethyl vanillin propylene glycol acetal
FL/FR
heliotropyl alcohol
FL/FR
methyl vanillate
FL/FR
propenyl guaethol
FL/FR
vanilla bean absolute (vanilla planifolia)
FL/FR
vanilla cresol
FR
vanillin
FL/FR
vanillin 2,3-butylene glycol acetal
FL/FR
vanillin propylene glycol acetal
FL/FR
vanillyl acetate
FL/FR
vanillyl butyl ether
FL/FR
vanillyl isobutyrate
FL/FR
vanillylidene acetone
FL/FR
woody
guaiacyl acetate
FL/FR
4-
hydroxybenzaldehyde
FL/FR
For Flavor
No flavor group found for these
1-
benzoyl acetone
FL/FR
coumane
FL/FR
ortho-
dimethyl hydroquinone
FL/FR
alpha-
ethoxy-ortho-cresol
FL/FR
glucoethyl vanillin
FL
heliotropyl alcohol
FL/FR
menthoxypropane diol
FL/FR
(E)-para-
methoxycinnamaldehyde
FL/FR
4-
methoxysalicylaldehyde
FL
3-
methyl cyclohexanone
FL
methyl vanillate
FL/FR
vanillin menthoxypropane diol acetal
FL/FR
vanillyl butyl ether
FL/FR
anisic
anisic
para-
acetanisole
FL/FR
ortho-
anisaldehyde
FL/FR
balsamic
benzoin absolute replacer
FL/FR
sumatra
benzoin gum
FL/FR
siam
benzoin resin
FL/FR
sumatra
benzoin resin
FL/FR
sumatra
benzoin resinoid
FL/FR
siam
benzoin resinoid
FL/FR
peru balsam
FL
peru balsam oil
FL/FR
peru balsam resinoid
FL/FR
vanillylidene acetone
FL/FR
cherry
heliotropin
FL/FR
para-
methoxycinnamaldehyde
FL/FR
coconut
6-
methyl coumarin
FL
creamy
divanillin
FL
ethyl vanillate
FL/FR
4-
hydroxybenzaldehyde
FL/FR
para-
vanillic acid
FL/FR
para-
vanillyl alcohol
FL/FR
veratraldehyde
FL/FR
fruity
para-
anisyl acetate
FL/FR
vanilla carboxylate
FL/FR
herbal
eucalyptus globulus oil
FL/FR
rosemary oleoresin
FL/FR
white
thyme oil
FL/FR
thyme oil (thymus zygis gracillis) spain
FL/FR
red
thyme oil spain
FL/FR
medicinal
dextro-
camphor
FL/FR
minty
1,8-
cineole
FL/FR
piperitone
FL/FR
naphthyl
2,4-
dimethyl benzaldehyde
FL/FR
1-
methyl naphthalene
FL/FR
nutty
furfural acetone
FL
phenolic
thymol
FL/FR
powdery
powdery ketone
FL
rummy
vanillyl ethyl ether
FL/FR
spicy
para-
anisyl formate
FL/FR
sumatra
benzoin absolute
FL/FR
siam
benzoin absolute
FL/FR
elettaria cardamomum seed oil
FL/FR
elettaria cardamomum seed oil guatemala
FL/FR
zingerone
FL/FR
sweet
vanilla oleoresin bali
FL/FR
vanilla resinoid
FL/FR
vanilla
acetovanillone
FL/FR
ethyl vanillin
FL/FR
ethyl vanillin isobutyrate
FL/FR
ethyl vanillin propylene glycol acetal
FL/FR
4-
methyl guaiacol
FL/FR
propenyl guaethol
FL/FR
vanilla bean absolute (vanilla planifolia)
FL/FR
vanillin
FL/FR
vanillin 2,3-butylene glycol acetal
FL/FR
vanillin propylene glycol acetal
FL/FR
vanillyl acetate
FL/FR
vanillyl isobutyrate
FL/FR
waxy
para-
cresyl laurate
FL/FR
woody
iso
bornyl formate
FL/FR
ortho-
guaiacol
FL/FR
guaiacyl acetate
FL/FR
 
Potential Uses:
FLvanilla
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
(±)-benzoin
(RS)-benzoin
 benzoyl phenyl carbinol
bitter almond oil camphor
1,2-diphenyl-1-hydroxy-2-ethanone
 ethanone, 2-hydroxy-1,2-diphenyl-
(±)-2-hydroxy-1,2-diphenyl ethan-1-one
(1)-2-hydroxy-1,2-diphenyl ethan-1-one
2-hydroxy-1,2-diphenyl ethanone
2-hydroxy-1,2-diphenyl-ethanone
2-hydroxy-1,2-diphenylethan-1-one
(±)-2-hydroxy-1,2-diphenylethanone
2-hydroxy-1,2-diphenylethanone
2-hydroxy-2-phenyl acetophenone
(±)-2-hydroxy-2-phenylacetophenone
2-hydroxy-2-phenylacetophenone
2-hydroxy-2-pheylacetophenone
a-hydroxy-a-phenylacetophenone
alpha-hydroxy-alpha-phenyl acetophenone
a-hydroxybenzyl phenyl ketone
alpha-hydroxybenzyl phenyl ketone
 ketone, a-hydroxybenzyl phenyl
 nisso cure MB
 phenyl benzoyl carbinol
 
 
Notes:
a white crystalline compound prepared by condensation of benzaldehyde in potassium cyanide and used in organic syntheses. this should not be confused with benzoin gum from styrax. Benzoin is an organic compound with the formula PhCH(OH)C(O)Ph. It is a hydroxy ketone attached to two phenyl groups. It appears as off-white crystals, with a light camphor-like odor. Benzoin is synthesized from benzaldehyde in the benzoin condensation. It is chiral and it exists as a pair of enantiomers: (R)-benzoin and (S)-benzoin. (Wikipedia) Flavouring ingredient Benzoin is an organic compound with the formula PhCH(OH)C(O)Ph. It is a hydroxy ketone attached to two phenyl groups. It appears as off-white crystals, with a light camphor-like odor. Benzoin is synthesized from benzaldehyde in the benzoin condensation. It is chiral and it exists as a pair of enantiomers: (R)-benzoin and (S)-benzoin. (Wikipedia)
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