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3-octyl formate
(+/-)-octan-3-yl formate

Supplier Sponsors

Alfrebro LLC/ Archer Daniels Midland Company

Let's get reacquainted
Building great taste with aroma chemicals, extracts, and distillates
The Alfrebro brand was established in the early 1900s by Alex Fries & Brothers, a Cincinnati Flavor Company. In 1980, the brand was re-launched as an aroma chemical manufacturer. Since its inception, Alfrebro’s primary focus has been to provide quality natural and high value synthetic chemicals.
Email:	Sarah Forbis
Email:	Sales
Voice: 513-539-3021
Fax: 513-539-7372
US Voice: 513-539-7373
Newsroom
CODE147304 CODE147304
Product(s):
3-OCTYL FORMATE NATURAL

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
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US Fax: 1-631-614-7828
Europe	44-203-286-1088
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CODE147304 CODE147304
Product(s):
84434-65-1 3-Octyl Formate

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.
US Email:	Technical Services
US Email:	Sales
US Voice: (973) 740-2300
US Fax: (973) 740-1839
CODE147304 CODE147304
Product(s):
15-33025 3-OCTYL FORMATE

CAS Number:	84434-65-1	3D/inchi
ECHA EINECS - REACH Pre-Reg:	282-866-1
FDA UNII:	2V9K8OE808
Nikkaji Web:	J297.704D
Beilstein Number:	1755259
XlogP3-AA:	3.40 (est)
Molecular Weight:	158.24086000
Formula:	C9 H18 O2
NMR Predictor:	Predict (works with chrome, Edge or firefox)
EFSA/JECFA Comments:
Racemate (EFFA, 2010a).

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:	2070 (+/-)-octan-3-yl formate
DG SANTE Food Flavourings:	09.926 octan-3-yl formate
FEMA Number:	4009 (+/-)-octan-3-yl formate
FDA:	No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):	84434-65-1 ; 3-OCTYL FORMATE

Physical Properties:

Appearance:	colorless clear liquid (est)
Assay:	98.00 to 100.00
Food Chemicals Codex Listed:	No
Specific Gravity:	0.86500 to 0.87500 @ 25.00 °C.
Pounds per Gallon - (est).:	7.198 to 7.281
Refractive Index:	1.41300 to 1.41700 @ 20.00 °C.
Boiling Point:	195.00 to 196.00 °C. @ 760.00 mm Hg
Boiling Point:	69.00 to 71.00 °C. @ 7.00 mm Hg
Vapor Pressure:	0.339000 mmHg @ 25.00 °C. (est)
Flash Point:	161.00 °F. TCC ( 71.67 °C. )
logP (o/w):	3.434 (est)
Soluble in:
	alcohol
	water, 131.5 mg/L @ 25 °C (est)
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Organoleptic Properties:

Odor Type: green

fruity green vegetable

Odor Description:at 100.00 %. fruity green vegetable

green juicy fruity apple pear waxy tropical citrus

Odor Description:at 1.00 %. green, juicy, fruity apple and pear , waxy, tropical with citrus nuances
Mosciano, Gerard, (2009)

Flavor Type: waxy

waxy fruity green pear banana apple peach vegetable

Taste Description: at 10.00 ppm. Waxy, fruity green pear, banana, golden delicious apple and peach with vegetative nuances
Mosciano, Gerard, (2009)

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

Cosmetic Information:

None found

Suppliers:

Alfrebro

3-OCTYL FORMATE NATURAL

Odor: Fruity, Green, Vegetable

BOC Sciences

For experimental / research use only.

3-Octyl Formate

Kingchem Laboratories

3 OCTYL FORMATE

Odor: Floral, pine-like, sweet

Penta International

3-OCTYL FORMATE

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
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for 3-octyl formate usage levels up to:
	2.0000 % in the fragrance concentrate.

Maximised Survey-derived Daily Intakes (MSDI-EU):		0.24 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI):		3900 (μg/person/day)
Threshold of Concern:		1800 (μg/person/day)
Structure Class:		I
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: 20
Click here to view publication 20
		average usual ppm	average maximum ppm
baked goods:		10.00000	20.00000
beverages(nonalcoholic):		6.00000	10.00000
beverages(alcoholic):		-	-
breakfast cereal:		-	-
cheese:		-	-
chewing gum:		30.00000	50.00000
condiments / relishes:		-	-
confectionery froastings:		-	-
egg products:		-	-
fats / oils:		-	-
fish products:		-	-
frozen dairy:		8.00000	12.00000
fruit ices:		-	-
gelatins / puddings:		-	-
granulated sugar:		-	-
gravies:		-	-
hard candy:		10.00000	20.00000
imitation dairy:		8.00000	12.00000
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:		8.00000	12.00000
soups:		-	-
sugar substitutes:		-	-
sweet sauces:		-	-

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/kg	maximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0):		7.00000	35.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0):		5.00000	25.00000
Edible ices, including sherbet and sorbet (03.0):		10.00000	50.00000
Processed fruit (04.1):		7.00000	35.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2):		-	-
Confectionery (05.0):		10.00000	50.00000
Chewing gum (05.3):		-	-
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0):		5.00000	25.00000
Bakery wares (07.0):		10.00000	50.00000
Meat and meat products, including poultry and game (08.0):		2.00000	10.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0):		2.00000	10.00000
Eggs and egg products (10.0):		-	-
Sweeteners, including honey (11.0):		-	-
Salts, spices, soups, sauces, salads, protein products, etc. (12.0):		5.00000	25.00000
Foodstuffs intended for particular nutritional uses (13.0):		10.00000	50.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1):		5.00000	25.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2):		10.00000	50.00000
Ready-to-eat savouries (15.0):		20.00000	100.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0):		5.00000	25.00000

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 7, Revision 1 (FGE.07Rev1): Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5 (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 7, Revision 2 (FGE.07Rev2) : Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5
View page or View pdf

Flavouring Group Evaluation 7, Revision 3 (FGE.07Rev3): Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 7, Revision 4 (FGE.07Rev4): Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 7, Revision 5 (FGE.07Rev5): saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5
View page or View pdf

EPI System: View

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA ACToR:Toxicology Data

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :22757845

National Institute of Allergy and Infectious Diseases:Data

octan-3-yl formate

Chemidplus:0084434651

References:

	octan-3-yl formate
NIST Chemistry WebBook:	Search Inchi
Pubchem (cid):	22757845
Pubchem (sid):	135210499

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):	HMDB32454
FooDB:	FDB009966
ChemSpider:	View
FAO:	(+/-)-Octan-3-yl formate