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

heptyl isovalerate
3-methylbutanoic acid heptyl ester

Supplier Sponsors

Name:heptyl 3-methylbutanoate
CAS Number: 56423-43-9Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:260-170-9
FDA UNII:479G1Y20YZ
Nikkaji Web:J183.049J
MDL:MFCD03939565
CoE Number:10667
XlogP3:4.20 (est)
Molecular Weight:200.32168000
Formula:C12 H24 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
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
FLAVIS Number:09.392 (Old)
DG SANTE Food Flavourings:09.392 heptyl isovalerate
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.86200 to 0.86800 @ 25.00 °C.
Pounds per Gallon - (est).: 7.173 to 7.223
Refractive Index:1.42200 to 1.42800 @ 20.00 °C.
Boiling Point: 230.00 to 232.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.061000 mm/Hg @ 25.00 °C. (est)
Flash Point: 201.00 °F. TCC ( 93.89 °C. )
logP (o/w): 4.705 (est)
Soluble in:
 alcohol
 water, 4.064 mg/L @ 25 °C (est)
Insoluble in:
 water
Similar Items:note
allyl valerate
allyl isovalerate
amyl valerate
amyl isovalerate
isoamyl valerate
isoamyl isovalerate
para-anisyl isovalerate
para-anisyl valerate
benzyl valerate
benzyl isovalerate
bornyl valerate
bornyl isovalerate
(-)-bornyl isovalerate
isobornyl isovalerate
S-sec-butyl thioisovalerate
butyl valerate
butyl isovalerate
isobutyl valerate
isobutyl isovalerate
carvyl isovalerate
cinnamyl valerate
cinnamyl isovalerate
citronellyl valerate
citronellyl isovalerate
para-cresyl valerate
para-cresyl isovalerate
cyclohexyl valerate
cyclohexyl isovalerate
cyclotene isovalerate
decyl valerate
decyl isovalerate
ethyl valerate
ethyl isovalerate
eugenyl isovalerate
furfuryl isovalerate
furfuryl valerate
geranyl valerate
geranyl isovalerate
(E)-2-hepten-1-yl isovalerate
sec-heptyl isovalerate
heptyl valerate
(E)-2-hexen-1-yl valerate
(E)-2-hexen-1-yl isovalerate
(Z)-3-hexen-1-yl valerate
(Z)-3-hexen-1-yl isovalerate
hexyl valerate
hexyl isovalerate
linalyl valerate
linalyl isovalerate
menthyl valerate
menthyl isovalerate
methyl 2-methyl valerate
methyl 4-methyl valerate
2-methyl butyl isovalerate
4-methyl pentyl isovalerate
methyl thio isovalerate
methyl valerate
methyl isovalerate
myrtenyl isovalerate
neryl isovalerate
nonyl isovalerate
nonyl valerate
octyl valerate
octyl isovalerate
phenethyl isovalerate
2-phenethyl valerate
3-phenyl propyl isovalerate
phenyl propyl valerate
S-prenyl thioisovalerate
isopropyl thioisovalerate
propyl valerate
propyl isovalerate
isopropyl valerate
isopropyl isovalerate
rhodinyl isovalerate
terpinyl isovalerate
terpinyl valerate
 
Organoleptic Properties:
Odor Type: fruity
fruity woody animal
Odor Description:at 100.00 %. fruity woody animal
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
Heptyl isovalerate
Inoue Perfumery
HEPTYL ISOVALERATE
Sigma-Aldrich: Aldrich
For experimental / research use only.
Heptyl Isovalerate
Synerzine
Heptyl Isovalerate
 
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
 
Safety in Use Information:
Category: flavor and fragrance agents
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.0012 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 2300 (μg/person/day)
Threshold of Concern:1800 (μg/person/day)
Structure Class: I
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 7.0000035.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 5.0000025.00000
Edible ices, including sherbet and sorbet (03.0): 10.0000050.00000
Processed fruit (04.1): 7.0000035.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 10.0000050.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 5.0000025.00000
Bakery wares (07.0): 10.0000050.00000
Meat and meat products, including poultry and game (08.0): 2.0000010.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 2.0000010.00000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 5.0000025.00000
Foodstuffs intended for particular nutritional uses (13.0): 10.0000050.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): --
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 10.0000050.00000
Ready-to-eat savouries (15.0): 20.00000100.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 5.0000025.00000
 
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 1, Revision 1 (FGE.01Rev 1): Branched-chain aliphatic saturated aldehydes, carboxylic acids and related esters of primary alcohols and branched-chain carboxylic acids from chemical groups 1 and 2 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) on a request from the Commission
View page or View pdf

Flavouring Group Evaluation 01 Rev2 (FGE.01 Rev2): Branched-chain aliphatic saturated aldehydes, carboxylic acids and related esters of primary alcohols and branched-chain carboxylic acids from chemical groups 1 and 2
View page or View pdf

EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :91850
National Institute of Allergy and Infectious Diseases:Data
heptyl 3-methylbutanoate
Chemidplus:0056423439
 
References:
 heptyl 3-methylbutanoate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):91850
Pubchem (sid):135048535
 
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
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
amber
ambergris fragrance
FR
ambreine fragrance
FR
balsamic
ambrene specialty
FR
iso
bornyl propionate
FL/FR
fir carboxylate
FR
scotch
pine wood/needles resinoid
FR
tolu balsam replacer
FR
berry
raspberry ketone methyl ether
FL/FR
earthy
orris specialty
FR
fatty
hexyl pivalate
FR
floral
anise indene
FR
benzaldehyde propylene glycol acetal
FL/FR
boronia absolute
FL/FR
boronia absolute replacer
FL/FR
boronia fragrance
FR
bursera graveolens wood oil
FL/FR
cananga oil
FL/FR
2,4-
dimethyl cyclohexyl methyl acetate
FR
ionone mixed isomers
FL/FR
linalyl propionate
FL/FR
N-
methyl ionone
FR
orris fragrance
FR
fruity
brandy extract
FL/FR
buchu wood specialty
FL/FR
davana flower oil
FL/FR
1-(3,3-
dimethyl bicyclo(2.2.1)hept-2-yl)-2-methyl cyclohex-3-ene carbaldehyde
FR
1,4-
dimethyl bicyclo(3.2.1)oct-3-yl acetate
FR
1,2-
dimethyl butyl 2-butenoate
FR
trans-1-
ethyl-2-methyl propyl 2-butenoate
FL/FR
geranyl acetoacetate
FL/FR
green acetate
FR
methyl (Z)-5-octenoate
FL/FR
octyl propionate
FL/FR
2-
pentanone
FL/FR
perillyl acetate
FL/FR
pineapple hydroxyhexanoate
FL/FR
herbal
bornyl 2-methyl butyrate
FL/FR
bornyl butyrate
FL/FR
herbal specialty
FR
herbal undecanone
FR
methyl cyclogeranate (Firmenich)
FR
tricyclodecenyl propionate
FR
spicy
clove bud absolute
FL/FR
clove bud oil
FL/FR
clove bud oil replacer
FR
clove fragrance
FR
N,N-
diethyl octanamide
FR
green oxane
FR
pepper tree berry oil CO2 extract
FL/FR
waxy
orris rhizome oil CO2 extract
FL/FR
woody
4-(3,3-
dimethyl bicyclo(2.2.1)hept-2-yl)-1-methyl-2-oxabicyclo(2.2.2)octane
FR
melozol acetate
FR
spicy pentanone
FL/FR
1-(5',5',6'-
trimethyl bicyclo(2.2.1)hept-2'-ylidene) propan-2-one
FR
trimethyl cyclohexyl acetyl cyclopentanone
FR
For Flavor
No flavor group found for these
bornyl 2-methyl butyrate
FL/FR
bornyl butyrate
FL/FR
boronia absolute replacer
FL/FR
buchu wood specialty
FL/FR
bursera graveolens wood oil
FL/FR
costus root absolute
FL
davana flower oil
FL/FR
trans-1-
ethyl-2-methyl propyl 2-butenoate
FL/FR
ionone mixed isomers
FL/FR
balsamic
balsamic
iso
bornyl propionate
FL/FR
berry
perillyl acetate
FL/FR
raspberry ketone methyl ether
FL/FR
dairy
methyl (Z)-5-octenoate
FL/FR
estery
octyl propionate
FL/FR
floral
cananga oil
FL/FR
fruity
benzaldehyde propylene glycol acetal
FL/FR
boronia absolute
FL/FR
brandy extract
FL/FR
2-
pentanone
FL/FR
pineapple hydroxyhexanoate
FL/FR
spicy pentanone
FL/FR
herbal
linalyl propionate
FL/FR
musty
geranyl acetoacetate
FL/FR
spicy
clove bud absolute
FL/FR
clove bud oil
FL/FR
pepper tree berry oil CO2 extract
FL/FR
woody
orris rhizome oil CO2 extract
FL/FR
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 osmanthus absolute @ trace%
Data GC Search Trop Picture
 
Synonyms:
 butanoic acid, 3-methyl-, heptyl ester
 heptyl 3-methyl butyrate
 heptyl 3-methylbutanoate
 heptyl 3-methylbutyrate
 heptyl isopentanoate
3-methyl butanoic acid heptyl ester
3-methylbutanoic acid heptyl ester
 

Articles:

 None found yet.
 
Notes:
None found
Please share your Comments.
Email Address:
Top of Page Home
Copyright © 1980-2018 The Good Scents Company (tgsc) ™ Disclaimer Privacy Policy