heptyl benzoate
benzoic acid, heptyl ester
 
Notes:
None found
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heptyl benzoate (Click)
CAS Number: 7155-12-6Picture of molecule
ECHA EINECS - REACH Pre-Reg: 230-511-6
Nikkaji Web: J167.506K
XlogP3: 5.20 (est)
Molecular Weight: 220.31180000
Formula: C14 H20 O2
NMR Predictor: Predict (works with chrome or firefox)
Category: flavor and fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar: Search
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Google Patents: Search
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IBM Patents: Obtain
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 96.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.98000 @  25.00 °C.
Refractive Index: 1.49250 @  25.00 °C.
Boiling Point: 257.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.001000 mm/Hg @ 25.00 °C. (est)
Flash Point: 262.00 °F. TCC ( 127.78 °C. )
logP (o/w): 5.181 (est)
Soluble in:
 alcohol
 water, 2.867 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
Odor Type: green
Odor Strength: medium
 green  herbal  sage  balsamic  metallic  
Odor Description:
at 100.00 %. 
damp green freshly bruised sage leaves metallic
  
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Cosmetic Information:
None found
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Suppliers:
 None found
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Safety Information:
 
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 heptyl benzoate usage levels up to:
  2.0000 % in the fragrance concentrate.
 
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Safety References:
EPI System: View
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 81591
National Institute of Allergy and Infectious Diseases: Data
 heptyl benzoate
Chemidplus: 0007155126
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References:
 heptyl benzoate
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 81591
Pubchem (sid): 135037676
Pherobase: View
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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
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
amber
 acetoxymethyl isolongifoleneFR
 formoxymethyl isolongifoleneFR
 hydroxymethyl isolongifolene 50% in dpgFR
balsamic
 betula pubescens bud oilFL/FR
 bornyl formateFL/FR
 cinnamyl formateFL/FR
caramellic
 mesitene lactoneFR
clean
 clean nitrileFR
ethereal
 ethyl 4-pentenoateFL/FR
fatty
(E)-2-octenalFL/FR
floral
 dihydrorose oxideFR
 dimethyl benzyl carbinyl butyrateFL/FR
 ethyl linaloolFR
 geranium oil africaFL/FR
 geranium oil egyptFL/FR
(Z)-3-hexen-1-yl salicylateFL/FR
2-pentyl cyclopentanoneFR
 petitgrain oil paraguayFL/FR
 rose pyranFR
 sweet pea absoluteFR
fruity
 tropical indeneFR
green
isobutyl heptanoateFL/FR
isobutyl methyl ketoneFL/FR
2-sec-butyl thiazoleFL/FR
 diphenyl methaneFL/FR
 galbanum absoluteFL/FR
 heptanal (aldehyde C-7)FL/FR
(Z)-4-hexen-1-olFL/FR
(E)-4-hexen-1-ol 
3-hexenyl 2-methyl butyrateFL/FR
english ivy leaf absoluteFR
 magnolia flower oilFL/FR
 seaweed absolute (fucus vesiculosus et serratus)FL/FR
herbal
 clary acetateFR
 clary propyl acetateFR
 clary sage resin americaFR
 costmary oil (chrysanthemum balsamita)FR
 herbal careneFR
cis-herbal cyclohexaneFR
 herbal dioxaneFR
 linalyl formateFL/FR
(E)-6-methyl-3-hepten-2-oneFL/FR
 nonisyl formateFR
 ocimene oxiraneFR
1-octen-3-yl acetateFL/FR
 perillaldehydeFL/FR
 tagete oil CO2 extractFL/FR
 tagete oil rwandaFL/FR
 tagete oil south africaFL/FR
 theaspiraneFL/FR
 viridiflorolFL/FR
minty
(-)-isopulegolFL/FR
spicy
 cuminaldehydeFL/FR
woody
alpha-thujene 
 verdoxanFR
 woody acetateFR
 
For Flavor
 
No flavor group found for these
 betula pubescens bud oilFL/FR
 bornyl formateFL/FR
isobutyl heptanoateFL/FR
4-butyl thiazoleFL
2-sec-butyl thiazoleFL/FR
 cinnamyl formateFL/FR
 ethyl 4-pentenoateFL/FR
 fig leaf absoluteFL
 heptanal (aldehyde C-7)FL/FR
(E,E)-2,4-hexadien-1-olFL
 linalyl formateFL/FR
 magnolia flower oilFL/FR
(E)-6-methyl-3-hepten-2-oneFL/FR
2-propyl thiazoleFL
(-)-isopulegolFL/FR
 seaweed absolute (fucus vesiculosus et serratus)FL/FR
alpha-thujene 
 viridiflorolFL/FR
aromatic
 diphenyl methaneFL/FR
citrus
 petitgrain oil paraguayFL/FR
cooling
 theaspiraneFL/FR
fatty
(E)-2-octenalFL/FR
floral
 dimethyl benzyl carbinyl butyrateFL/FR
 geranium oil africaFL/FR
 geranium oil egyptFL/FR
fruity
 tagete oil CO2 extractFL/FR
 tagete oil rwandaFL/FR
 tagete oil south africaFL/FR
green
isobutyl methyl ketoneFL/FR
 galbanum absoluteFL/FR
(E)-4-hexen-1-ol 
(Z)-4-hexen-1-olFL/FR
(Z)-3-hexen-1-yl salicylateFL/FR
3-hexenyl 2-methyl butyrateFL/FR
1-octen-3-yl acetateFL/FR
spicy
 cuminaldehydeFL/FR
 perillaldehydeFL/FR
 
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Potential Uses:
 chypreFR
 gorse 
 green 
 heatherFR
 herbalFR
 metallic 
 sage 
 tweed 
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Occurrence (nature, food, other): note
 pineapple guava
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Synonyms:
 benzoic acid heptyl ester
 benzoic acid, heptyl ester
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