heptyl benzoate
benzoic acid, heptyl ester
 
Notes:
None found
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CAS Number: 7155-12-6Picture of molecule3D/inchi
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
 
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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 mmHg @ 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
 
Odor and/or flavor descriptions from others (if found).
 
 
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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
aldehydic
 agrumen nitrileFR
amber
 acetoxymethyl isolongifoleneFR
 formoxymethyl isolongifoleneFR
 hydroxymethyl isolongifolene 50% in dpgFR
animal
isobutyl quinolineFR
anisic
 estragoleFL/FR
 ocimum basilicum leaf oil americaFL/FR
balsamic
 betula pubescens bud oilFL/FR
 bornyl formateFL/FR
isobornyl isobutyrateFL/FR
isobornyl phenyl acetateFL/FR
 cinnamyl formateFL/FR
 frankincense absoluteFL/FR
 khella oilFR
christmas pine fragranceFR
camphoreous
dextro-bornyl acetate 
 camphor tree bark oilFL/FR
caramellic
2-isobutyl-3-methyl pyrazineFL/FR
 mesitene lactoneFR
citrus
 backhousia citriodora leaf oilFR
isodecyl acetateFR
 lemon balm fragranceFR
 melissa oil replacerFR
 ocimene quintoxideFL/FR
clean
 clean nitrileFR
earthy
 geosminFL/FR
(S)-1-octen-3-olFL/FR
ethereal
 ethyl 4-pentenoateFL/FR
fatty
(E)-2-octenalFL/FR
2-octenalFL/FR
floral
 benzyl acetoneFL/FR
 cassie specialty (acacia farnesiana)FR
 cassis oxime 10%FR
 cilantro herb oil egyptFL/FR
(E)-cinnamophenone 
 cymbopogon validus leaf oilFR
 dictamnus hispanicus oilFR
 dihydrocitronellyl ethyl etherFR
 dihydrorose oxideFR
 dimethyl benzyl carbinyl butyrateFL/FR
2,4-dimethyl-3-cyclohexene-1-methanolFR
2,4-dimethyl-alpha-allyl-3-cyclohexene methanol 
4,6-dimethyl-alpha-allyl-3-cyclohexene methanol 
2-ethyl hexyl salicylateFR
 ethyl linaloolFR
 geranium oil africaFL/FR
 geranium oil egyptFL/FR
 heather fragranceFR
(Z)-3-hexen-1-yl salicylateFL/FR
 linalool oxide (furanoid)FL/FR
 linden flower absoluteFR
 linden flower absolute replacerFR
 melaleuca ericifolia leaf oilFR
para-methyl benzyl acetateFL/FR
 neryl formateFL/FR
3-nonanoneFL/FR
2-pentyl cyclopentanoneFR
 petitgrain oil paraguayFL/FR
isophytolFL/FR
 prenyl salicylateFL/FR
2-isopropoxyethyl salicylateFR
 reseda absoluteFR
 rose pyranFR
 sweet pea absoluteFR
5-tricyclodecenyl acetateFR
fruity
3-butyl bicyclo[3.2.1]-6-octen-2-oneFR
 ethyl 2-ethyl acetoacetateFL/FR
1-ethyl-2-methyl propyl chrysanthemumate 
 tropical indeneFR
garlic
4-methyl-2-[2-(methyl thio)ethyl]-1,3-oxathiane 
green
 agrumen aldehydeFR
 aloe vera fragranceFR
holy basil leaf oilFL/FR
 birch leaf specialtyFR
isobutyl heptanoateFL/FR
isobutyl methyl ketoneFL/FR
2-sec-butyl thiazoleFL/FR
S-sec-butyl thioisovalerateFL/FR
 carrot leaf oil (daucus carota ssp.maximus)FR
 chrysanthemum carbaldehydeFR
 decahydrocyclododecaoxazoleFR
 diphenyl methaneFL/FR
 galbanum absoluteFL/FR
 galbanum oxyacetateFR
 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
 marigold pot absoluteFL/FR
6-methyl-3-hepten-2-oneFL/FR
3-propyl bicyclo(3.2.1)-6-octen-2-oneFR
 seaweed absolute (fucus vesiculosus et serratus)FL/FR
 terpinyl propionateFL/FR
 triplal / ethyl anthranilate schiff's baseFR
9-acetyl-5-methyl-tricyclo[6.2.1.0.sup.2,7 ]undec-4-ene 
 anethum graveolens herb oilFL/FR
 anethum graveolens herb tinctureFL/FR
 anthemis nobilis flower extractFL/FR
 anthemis nobilis flower oil romanFL/FR
 apium graveolens seed oilFL/FR
 apium graveolens seed oil indiaFL/FR
 artemisia alba oilFR
sweet basil absoluteFL/FR
 blue grass fragranceFR
(+)-alpha-campholenic aldehydeFL/FR
 celery seed oil CO2 extractFL/FR
 celery seed oil replacerFR
 celery specialtyFR
 chamomile oil replacerFR
 chrysanthemum ketoneFR
 chrysanthemum specialtyFR
 clary acetateFR
 clary propyl acetateFR
 clary sage resin americaFR
 coriander oleoresinFL/FR
 costmary oil (chrysanthemum balsamita)FR
 croton catatii leaf oilFR
 dill weed oil cubaFL/FR
 dill weed oil reunionFL/FR
 dimethyl benzyl carbinyl formateFL/FR
2-(2,4-dimethyl-3-cyclohexene-1-yl)-4,4-dimethyl-1,3-oxathianeFR
 fougere herbal fragranceFR
 glyceryl tribenzoateCS
 herbal careneFR
cis-herbal cyclohexaneFR
 herbal dioxaneFR
 herbal heptaneFR
 hop absoluteFL/FR
 hop oilFL/FR
 lantana camara flower oilFR
 linalyl formateFL/FR
 marigold oil mexicoFL/FR
 melaleuca leucadendron var. cajuputi leaf oilFL/FR
1-(2-methyl allyl oxy) heptaneFR
(E)-6-methyl-3-hepten-2-oneFL/FR
 mistletoe absolute 
 mistletoe fragranceFR
 monarda fistulosa oilFR
 nonisyl formateFR
 ocimene oxiraneFR
(E,Z)-3,5-octadien-2-one 
1-octen-3-yl acetateFL/FR
 oregano oil replacerFR
 oregano specialtyFR
 origanum oilFL/FR
 origanum oil greeceFL/FR
curled parsley leaf oilFL/FR
 perilla leaf oilFL/FR
 perillaldehydeFL/FR
 petroselinum crispum seed oil CO2 extractFL/FR
 phenyl acetaldehyde diisoamyl acetalFR
 prenyl senecioateFL/FR
 rain forest specialtyFR
 rhododendron anthopogon leaf oilFR
 rosemary oil africaFL/FR
 rosemary oil corsicaFL/FR
 rosemary oil tunisiaFL/FR
 rosmarinus officinalis extractFL/FR
 rosmarinus officinalis tinctureFL/FR
 tagete oil CO2 extractFL/FR
 tagete oil rwandaFL/FR
 tagete oil south africaFL/FR
 theaspiraneFL/FR
 thyme absoluteFL/FR
 tricyclodecyl acetateFR
 viridiflorolFL/FR
 wormwood oil americaFL/FR
 wormwood oil italyFL/FR
 wormwood oil polandFL/FR
 wormwood oil replacerFR
minty
(-)-menthoneFL/FR
homomenthyl acetateFL/FR
(-)-isopulegolFL/FR
mossy
 treemoss absoluteFR
 treemoss absolute replacerFR
pine
 bornyl benzoate 
soapy
 methyl anthranilate / hexyl cinnamaldehyde schiff's baseFR
spicy
isobutyl angelateFL/FR
 cuminaldehydeFL/FR
sweet marjoram oil replacerFR
 origanum majorana oilFL/FR
 outdoors specialtyFR
 spicy carbonateFR
 walnut leaf oilFR
woody
 callitris intratropica wood oil australiaFR
 cinnamyl tiglateFL/FR
 cistus twig/leaf absoluteFR
 dalbergia sissoo leaf oilFR
alpha-farneseneFL/FR
alpha-farnesene isomerFL/FR
 fougere woody fragranceFR
isolongifolene epoxideFR
 spruce needle oil canadaFL/FR
alpha-thujene 
 verdoxanFR
 woody acetateFR
 
For Flavor
 
No flavor group found for these
4-acetyl-2-isopropenyl pyridineFL
9-acetyl-5-methyl-tricyclo[6.2.1.0.sup.2,7 ]undec-4-ene 
holy basil leaf oilFL/FR
 betula pubescens bud oilFL/FR
dextro-bornyl acetate 
 bornyl benzoate 
 bornyl formateFL/FR
isobornyl phenyl acetateFL/FR
isobutyl heptanoateFL/FR
2-sec-butyl thiazoleFL/FR
4-butyl thiazoleFL
S-sec-butyl thioisovalerateFL/FR
(E)-cinnamophenone 
 cinnamyl tiglateFL/FR
 dimethyl benzyl carbinyl formateFL/FR
 ethyl 4-pentenoateFL/FR
1-ethyl-2-methyl propyl chrysanthemumate 
 fig leaf absoluteFL
(E,E)-2,4-hexadien-1-olFL
 linalool oxide (furanoid)FL/FR
 linalyl formateFL/FR
 magnolia flower oilFL/FR
 melaleuca leucadendron var. cajuputi leaf oilFL/FR
4-methyl-2-[2-(methyl thio)ethyl]-1,3-oxathiane 
(E)-6-methyl-3-hepten-2-oneFL/FR
6-methyl-3-hepten-2-oneFL/FR
 mistletoe absolute 
(E,Z)-3,5-octadien-2-one 
(S)-1-octen-3-olFL/FR
2-octenalFL/FR
3-octyl butyrateFL
 perilla leaf oilFL/FR
 prenyl senecioateFL/FR
2-propyl thiazoleFL
isoquinolineFL
 seaweed absolute (fucus vesiculosus et serratus)FL/FR
alpha-thujene 
ortho-vinyl anisoleFL
 viridiflorolFL/FR
balsamic
isobornyl isobutyrateFL/FR
camphoreous
 camphor tree bark oilFL/FR
 rosemary oil tunisiaFL/FR
cooling
homomenthyl acetateFL/FR
 theaspiraneFL/FR
earthy
 geosminFL/FR
fatty
(E)-2-octenalFL/FR
floral
 dimethyl benzyl carbinyl butyrateFL/FR
2,4-dimethyl-alpha-allyl-3-cyclohexene methanol 
4,6-dimethyl-alpha-allyl-3-cyclohexene methanol 
 geranium oil africaFL/FR
 geranium oil egyptFL/FR
fruity
 benzyl acetoneFL/FR
 ethyl 2-ethyl acetoacetateFL/FR
para-methyl benzyl acetateFL/FR
 neryl formateFL/FR
 tagete oil CO2 extractFL/FR
 tagete oil rwandaFL/FR
 tagete oil south africaFL/FR
green
 anethum graveolens herb tinctureFL/FR
isobutyl angelateFL/FR
isobutyl methyl ketoneFL/FR
2-isobutyl-3-methyl pyrazineFL/FR
(+)-alpha-campholenic aldehydeFL/FR
 celery distillatesFL
 diphenyl methaneFL/FR
alpha-farneseneFL/FR
alpha-farnesene isomerFL/FR
 galbanum absoluteFL/FR
 heptanal (aldehyde C-7)FL/FR
(Z)-4-hexen-1-olFL/FR
(E)-4-hexen-1-ol 
(Z)-3-hexen-1-yl salicylateFL/FR
3-hexenyl 2-methyl butyrateFL/FR
 marigold pot absoluteFL/FR
3-nonanoneFL/FR
 ocimene quintoxideFL/FR
1-octen-3-yl acetateFL/FR
 terpinyl propionateFL/FR
herbal
 anethum graveolens herb oilFL/FR
 anthemis nobilis flower extractFL/FR
 anthemis nobilis flower oil romanFL/FR
 apium graveolens seed oilFL/FR
 apium graveolens seed oil indiaFL/FR
sweet basil absoluteFL/FR
 celery oleoresinFL
 celery root oleoresinFL
 celery seed oil CO2 extractFL/FR
 celery seed oleoresinFL
 cilantro herb oil egyptFL/FR
 coriander oleoresinFL/FR
 dill weed oil cubaFL/FR
 dill weed oil reunionFL/FR
 hop absoluteFL/FR
 hop oilFL/FR
 marigold oil mexicoFL/FR
 ocimum basilicum leaf oil americaFL/FR
 origanum majorana oilFL/FR
 origanum oilFL/FR
 origanum oil greeceFL/FR
curled parsley leaf oilFL/FR
curled parsley oleoresinFL
 petitgrain oil paraguayFL/FR
 petroselinum crispum seed oil CO2 extractFL/FR
 prenyl salicylateFL/FR
 rosemary oil africaFL/FR
 rosemary oil corsicaFL/FR
 rosmarinus officinalis extractFL/FR
 rosmarinus officinalis tinctureFL/FR
 thyme absoluteFL/FR
 wormwood oil americaFL/FR
 wormwood oil italyFL/FR
 wormwood oil polandFL/FR
licorice
 estragoleFL/FR
medicinal
 frankincense absoluteFL/FR
minty
(-)-menthoneFL/FR
(-)-isopulegolFL/FR
oily
isophytolFL/FR
spicy
 cinnamyl formateFL/FR
 cuminaldehydeFL/FR
 perillaldehydeFL/FR
woody
 spruce needle oil canadaFL/FR
 
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Potential Uses:
 chypreFR
 gorse 
 greenFR
 heatherFR
 herbalFR
 metallic 
 sageFR
 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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