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3-benzyl-4-heptanone

Chemical Structure

General Material Information

Preferred name 3-benzyl-4-heptanone
Trivial Name 3-(Phenylmethyl)-4-heptanone
Short Description 3-(phenylmethyl)-4-heptanone
Formula C14 H20 O
CAS Number 7492-37-7
FEMA Number 2146
Flavis Number 7.07
ECHA Number 231-317-4
FDA UNII 64UYT55005
Nikkaji Number J71.684G
Beilstein Number 2262221
MDL MFCD01210430
COE Number 2140
xLogP3-AA 3.60 (est)
NMR Predictor External link
JECFA Food Flavoring 830 3-benzyl-4-heptanone
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 7492-37-7 ; 3-BENZYL-4-HEPTANONE
Synonyms
  • benzyl dipropyl ketone
  • 1-benzyl dipropyl ketone
  • 3-benzyl heptan-4-one
  • 1-benzyldipropyl ketone
  • 3-benzylheptan-4-one
  • 4-heptanone, 3-(phenylmethyl)-
  • 4-heptanone, 3-benzyl-
  • morellone
  • 3-( phenyl methyl) heptan-4-one
  • 3-( phenyl methyl)-4-heptanone
  • 1-phenyl-2-ethyl-3-hexanone
  • 3-( phenylmethyl)-4-heptanone
  • 3-( phenylmethyl)heptan-4-one
  • 3-benzylheptan-4-one
  • 4-Heptanone, 3-(phenylmethyl)-
  • 4-Heptanone, 3-benzyl-
  • 3-(Phenylmethyl)-4-heptanone
  • 1-Benzyldipropyl ketone

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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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
FDA Substances Added to Food (formerly EAFUS):View
CHEBI:View
HMDB (The Human Metabolome Database):HMDB41482
FooDB:FDB021445
ChemSpider:View
Wikipedia:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 204.31260681152
Specific gravity @ 25 °C
Pounds per Gallon 7.747 to 7.797
Refractive Index 1.49 to 1.495 @ 20 °C
Boiling Point 158 to 160°C @ 10 mm Hg
Vapor Pressure 0.002 mmHg @ 25 °C
Flash Point TCC Value 107.9 °C TCC
logP (o/w) 3.845 est
Shelf life 12 months (or longer if stored properly.)
Storage notes Store in cool, dry place in tightly sealed containers, protected from heat and light.
Solubility
alcohol Yes
water, 21.23 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Fruity
fruity, berry, fruit dried fruit, herbal, aldehydic, minty, plum, raisin, fig, woody
Odor strength medium
Substantivity 133 hour(s) at 100.00 %
Luebke, William tgsc, (2021) At 100.00 %. fruity berry dried fruit herbal aldehydic minty plum raisin fig woody
Mosciano, Gerard P&F 17, No. 4, 33, (1992) Fruity, berry, woody with a herbal and minty nuance
Flavor Type: Fruity
fruity, waxy, foliage, floral, fruit dried fruit, minty, berry, raisin, cocoa
Luebke, William tgsc, (2021) Fruity waxy foliage floral dried fruit minty berry raisin cocoa
Mosciano, Gerard P&F 17, No. 4, 33, (1992) At 50.00 ppm. Fruity, waxy, slight floral

Potential Uses

Applications
Odor purposes Banana, Cherry, Grape, Peach, Plum, Raspberry

Safety Information

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:
gavage-rat LD50 [sex: M,F] 4400 mg/kg
(Burdock & Ford, 1990d)

gavage-rat LD50 [sex: M,F] 4441 mg/kg
(Reagan & Becci, 1984c)

oral-rat LD50 4400 mg/kg
SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE SKIN AND APPENDAGES (SKIN): HAIR: OTHER GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS
Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 2, 1990.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in use information

Category:
flavor and fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for 3-benzyl-4-heptanone usage levels up to:
2.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.05 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 1.00 (μg/capita/day)
Threshold of Concern:540 (μg/person/day)
Structure Class: II
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: -11.00000
beverages(nonalcoholic): -1.20000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -4.60000
fruit ices: -4.60000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -11.00000
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):

Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 16 (FGE.16): Aromatic ketones from chemical group 21 (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf

Flavouring Group Evaluation 16, Revision 1 (FGE.16Rev1)[1]: Aromatic ketones from chemical group 21- Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food
View page or View pdf

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

Flavouring Group Evaluation 16, Revision 2 (FGE.16Rev2): Aromatic ketones from chemical group 21
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 96 (FGE.96): Consideration of 88 flavouring substances considered by EFSA for which EU production volumes / anticipated production volumes have been submitted on request by DG SANCO. Addendum to FGE. 51, 52, 53, 54, 56, 58, 61, 62, 63, 64, 68, 69, 70, 71, 73, 76, 77, 79, 80, 83, 84, 85 and 87.
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 69, Revision 1 (FGE.69Rev1): 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.16Rev2
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):7492-37-7
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :5463905
National Institute of Allergy and Infectious Diseases:Data
3-benzylheptan-4-one
Chemidplus:0007492377