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butyl heptanoate
butyl heptoate

Supplier Sponsors

BOC Sciences

Best of Chemicals Supplier
Quality supplier of research chemicals and biochemicals including inhibitors, building blocks, GMP Products, impurities and metabolites, APIs for Veterinary, Natural Compounds, ADCs, Stem Cell Molecule and chiral compounds.
BOC Sciences provides a wide range of services to support the pharmaceutical industry through all stages of drug discovery including Custom Synthesis of those chemicals that are not in stock, Isotope Labeling Service, Chiral Synthesis and Resolution, Bioconjugation, PEGylation services, analytical services.
BOC Sciences is a brand of BOCSCI Inc. We leverage our wide spectrum of business in the fields of development, manufacturing, marketing, and distribution to help you make best-informed decisions tailored to your evolving needs for premium chemicals. Our complete suite of CRO services spans the entire molecule development pipeline including contract research for target identification, building blocks, compound synthesis, biochemical and cellular analysis, preclinical animal tests, and clinical studies.
Email:	Marketing
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US Email:	Sales
Voice: 1-631-485-4226
Fax: 1-631-614-7828
US Voice: 1-631-485-4226
US Fax: 1-631-614-7828
Europe	44-203-286-1088
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GSC101346103091 GSC101346103091
Product(s):
5454-28-4 Butyl Heptanoate

Penta International Corporation

Chemistry innovation
At Penta, our products and services help businesses do business better.
For over 30 years, Penta Manufacturing Company has played a growing role in worldwide chemistry innovations and applications. As an industry leader, Penta continues to pioneer chemistry-based solutions for practically every area of commerce. Our products and expertise have helped fuel technical advances in dozens of commercial applications including flavoring, coloring, fragrances and chemical processes.
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US Voice: (973) 740-2300
US Fax: (973) 740-1839
GSC101346103091 GSC101346103091
Product(s):
02-60800 BUTYL HEPTANOATE

SRS Aromatics Ltd

For over 25 years
Bringing flavour and fragrance into your world.
As suppliers / distributors of ingredients to the fragrance and flavour industries, our goal is to provide high quality materials at competitive prices with an exceptional level of service. Established in 1984, SRS Aromatics Ltd is an independent family owned business which has become very well-respected within the fragrance and flavour industry as a reliable and trustworthy partner. Over the years this has allowed the company to develop strong relationships with many global manufacturers; several of whom we represent in the UK. A core aim of our business is to work extremely closely with both our suppliers and customers to maximise service levels with minimum disruption to supply.
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GSC101346103091 GSC101346103091
Product(s):
BUTYL HEPTANOATE

Name:	butyl heptanoate
CAS Number:	5454-28-4	3D/inchi
ECHA EINECS - REACH Pre-Reg:	226-707-6
FDA UNII:	0Y61V5656M
Nikkaji Web:	J115.080D
MDL:	MFCD00048898
CoE Number:	363
XlogP3-AA:	3.80 (est)
Molecular Weight:	186.29474000
Formula:	C11 H22 O2
NMR Predictor:	Predict (works with chrome, Edge 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
PubMed:	Search
NCBI:	Search
JECFA Food Flavoring:	169 butyl heptanoate
DG SANTE Food Flavourings:	09.091 butyl heptanoate
FEMA Number:	2199 butyl heptanoate
FDA:	No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):	5454-28-4 ; BUTYL HEPTANOATE
FDA Regulation:
FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION Subpart F--Flavoring Agents and Related Substances Sec. 172.515 Synthetic flavoring substances and adjuvants.

Physical Properties:

Appearance:	colorless clear liquid (est)
Assay:	98.00 to 100.00
Food Chemicals Codex Listed:	No
Specific Gravity:	0.86300 @ 25.00 °C.
Melting Point:	-67.50 °C. @ 760.00 mm Hg
Boiling Point:	226.20 °C. @ 760.00 mm Hg
Vapor Pressure:	0.090000 mmHg @ 25.00 °C.
Flash Point:	188.00 °F. TCC ( 86.67 °C. )
logP (o/w):	4.352 (est)
Soluble in:
	alcohol
	water, 10.87 mg/L @ 25 °C (est)
Insoluble in:
	water
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Organoleptic Properties:

Odor Type: green

green fruity licorice grassy oily winey starfruit pear tropical

Odor Description:at 100.00 %. green fruity licorice grassy oily winey starfruit pear tropical
Luebke, William tgsc, (2017)

Odor sample from: Sigma-Aldrich

Flavor Type: fruity

fruity green winey pear starfruit tropical papaya licorice

Taste Description: fruity green winey pear starfruit tropical papaya licorice
Luebke, William tgsc, (2017)

Odor and/or flavor descriptions from others (if found).

Cosmetic Information:

None found

Suppliers:

BOC Sciences

For experimental / research use only.

NI, Kosher

Odor: Cut, Grass, Marigold, Herbal, Fruity, Apple

Safety Information:

European information :
Most important hazard(s):
Xi - Irritant
R 36/37/38 - Irritating to eyes, respiratory system, and skin. S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36 - Wear suitable protective clothing.

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
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for butyl heptanoate usage levels up to:
	8.0000 % in the fragrance concentrate.

Maximised Survey-derived Daily Intakes (MSDI-EU):		0.00 (μg/capita/day)
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 ppm	average maximum ppm
baked goods:		2.00000	25.00000
beverages(nonalcoholic):		0.50000	1.00000
beverages(alcoholic):		-	-
breakfast cereal:		-	-
cheese:		-	-
chewing gum:		-	-
condiments / relishes:		-	-
confectionery froastings:		-	-
egg products:		-	-
fats / oils:		-	-
fish products:		-	-
frozen dairy:		2.00000	10.00000
fruit ices:		2.00000	10.00000
gelatins / puddings:		-	-
granulated sugar:		-	-
gravies:		-	-
hard candy:		2.00000	25.00000
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):

Flavouring Group Evaluation 2, Revision 1 (FGE.02) : Branched- and straight-chain aliphatic saturated primary alcohols and related esters of primary alcohols and straight-chain carboxylic acids and one straight-chain aldehyde from chemical groups 1 and 2 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)
View page or View pdf

EPI System: View

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA Substance Registry Services (TSCA):5454-28-4

EPA ACToR:Toxicology Data

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :21596

National Institute of Allergy and Infectious Diseases:Data

WGK Germany:3

butyl heptanoate

Chemidplus:0005454284

References:

	butyl heptanoate
NIST Chemistry WebBook:	Search Inchi
Canada Domestic Sub. List:	5454-28-4
Pubchem (cid):	21596
Pubchem (sid):	134985768
Pherobase:	View

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
HMDB (The Human Metabolome Database):	HMDB41559
FooDB:	FDB021547
Export Tariff Code:	2915.90.0000
VCF-Online:	VCF Volatile Compounds in Food
ChemSpider:	View