octyl benzoate
benzoic acid, octyl ester
 
Notes:
None found
  • BOC Sciences
    • BOC Sciences
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      Product(s):
      94-50-8 Octyl Benzoate
       
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CAS Number: 94-50-8Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 202-339-1
FDA UNII: 8JQ9R1SYRZ
Nikkaji Web: J167.507I
XlogP3: 5.70 (est)
Molecular Weight: 234.33874000
Formula: C15 H22 O2
NMR Predictor: Predict (works with chrome or firefox)
Category: 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
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 97.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.96790 @  15.00 °C.
Boiling Point: 305.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.000312 mmHg @ 25.00 °C. (est)
Flash Point: 275.00 °F. TCC ( 135.00 °C. )
logP (o/w): 5.691 (est)
Soluble in:
 alcohol
 water, 0.9178 mg/L @ 25 °C (est)
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Organoleptic Properties:
 
Odor Type: balsamic
 
Odor Strength: medium
 
 fruity  balsamic  
Odor Description:
at 100.00 %. 
fruity balsam
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
BOC Sciences
For experimental / research use only.
Octyl Benzoate
Santa Cruz Biotechnology
For experimental / research use only.
Octyl Benzoate
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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
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Safety in Use Information:
Category: fragrance agents
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for octyl benzoate usage levels up to:
  3.0000 % in the fragrance concentrate.
 
Recommendation for octyl benzoate flavor usage levels up to:
 not for flavor use.
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Safety References:
EPI System: View
EPA Substance Registry Services (TSCA): 94-50-8
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 66751
National Institute of Allergy and Infectious Diseases: Data
 octyl benzoate
Chemidplus: 0000094508
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References:
 octyl benzoate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 94-50-8
Pubchem (cid): 66751
Pubchem (sid): 135025240
Pherobase: View
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Other Information:
(IUPAC): Atomic Weights of the Elements 2011 (pdf)
Videos: The Periodic Table of Videos
tgsc: Atomic Weights use for this web site
(IUPAC): Periodic Table of the Elements
CHEMBL: View
HMDB (The Human Metabolome Database): Search
FooDB: FDB020015
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
No odor group found for these
 lycopeneCS
acidic
2-methyl-2-pentenoic acidFL/FR
alcoholic
 fusel oilFL/FR
anisic
 amyl furoateFL/FR
balsamic
 butyl benzoateFL/FR
isobutyl cinnamateFL/FR
 cinnamyl butyrateFL/FR
 cinnamyl formateFL/FR
 ethyl cinnamateFL/FR
 fir carboxylateFR
 hexyl cinnamateFR
alpha-methyl cinnamyl alcoholFR
 phenyl salicylateFR
 prenyl benzoateFL/FR
 terpinyl butyrateFL/FR
caramellic
 diethyl malateFL/FR
fatty
 hexyl pivalateFR
floral
alpha-amyl cinnamaldehydeFL/FR
alpha-amyl cinnamyl acetateFL/FR
 anise indeneFR
 benzyl acetoneFL/FR
 boronia absoluteFL/FR
 geranyl tiglateFL/FR
beta-iononeFL/FR
 menthadienyl formateFR
 methyl benzyl acetate (mixed ortho-,meta-,para-)FL/FR
N-methyl iononeFR
alpha-isomethyl ionone (90% min.)FL/FR
 petitgrain lemon oilFL/FR
fruity
 dihydroactinidolideFL/FR
 green acetateFR
 linalool oxide acetatesFL/FR
para-menth-1-ene-9-olFL/FR
3-phenyl propyl isobutyrateFL/FR
herbal
isoamyl heptanoateFL/FR
 buchu mercaptan acetateFL/FR
 butyl levulinateFL/FR
 chamomile valerateFR
 coriander oleoresinFL/FR
 cuminyl acetateFL/FR
 herbal undecanoneFR
 linalyl octanoateFL/FR
1-para-menthen-9-yl acetateFL/FR
 methyl cyclogeranate (Firmenich)FR
 nonisyl acetateFR
3-octanon-1-olFL/FR
beta-sesquiphellandrene 
 tricyclodecenyl propionateFR
orris
 orris capronateFL/FR
spicy
 cinnamyl propionateFL/FR
 clove bud oilFL/FR
N,N-diethyl octanamideFR
(E)-propyl 2-furan acrylateFL/FR
 spicy acetoacetateFL/FR
woody
2-decalinyl acetateFR
 myrtenyl isobutyrate 
 patchouli absoluteFR
 santalyl butyrateFL/FR
 
For Flavor
 
No flavor group found for these
 amyl furoateFL/FR
 butyl benzoateFL/FR
 cuminyl acetateFL/FR
 diethyl malateFL/FR
 dihydroactinidolideFL/FR
 linalool oxide acetatesFL/FR
 methyl benzyl acetate (mixed ortho-,meta-,para-)FL/FR
 myrtenyl isobutyrate 
3-octanon-1-olFL/FR
beta-sesquiphellandrene 
 prenyl benzoateFL/FR
 santalyl butyrateFL/FR
acidic
(E)-2-hexenoic acidFL
balsamic
isobutyl cinnamateFL/FR
 ethyl cinnamateFL/FR
citrus
 petitgrain lemon oilFL/FR
earthy
alpha-amyl cinnamyl acetateFL/FR
floral
 cinnamyl propionateFL/FR
 geranyl tiglateFL/FR
alpha-isomethyl ionone (90% min.)FL/FR
 terpinyl butyrateFL/FR
fruity
 benzyl acetoneFL/FR
 boronia absoluteFL/FR
 buchu mercaptan acetateFL/FR
 fusel oilFL/FR
 linalyl octanoateFL/FR
1-para-menthen-9-yl acetateFL/FR
3-phenyl propyl isobutyrateFL/FR
(E)-propyl 2-furan acrylateFL/FR
herbal
isoamyl heptanoateFL/FR
 butyl levulinateFL/FR
 coriander oleoresinFL/FR
para-menth-1-ene-9-olFL/FR
orris
 orris capronateFL/FR
sour
2-methyl-2-pentenoic acidFL/FR
spicy
 cinnamyl formateFL/FR
 clove bud oilFL/FR
 spicy acetoacetateFL/FR
tropical
alpha-amyl cinnamaldehydeFL/FR
winey
 cinnamyl butyrateFL/FR
woody
beta-iononeFL/FR
 
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Potential Uses:
 balsamFR
 chypreFR
 fernFR
 fixer 
 orientalFR
 woodyFR
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Occurrence (nature, food, other): note
 lemon balm plant
Search Trop  Picture
 not found in nature
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Synonyms:
 benzoic acid octyl ester
 benzoic acid, octyl ester
N-octyl benzoate
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