butyl nonanoate, 50623-57-9

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CODE101369 CODE101369
Product(s):
50623-57-9 Butyl nonan-1-oate

Name:	butyl nonanoate
CAS Number:	50623-57-9	3D/inchi
ECHA EINECS - REACH Pre-Reg:	256-661-2
FDA UNII:	9YX9F28J2N
Nikkaji Web:	J115.092H
XlogP3-AA:	4.90 (est)
Molecular Weight:	214.34862000
Formula:	C13 H26 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
DG SANTE Food Flavourings:	09.334 butyl nonanoate

Physical Properties:

Appearance:	colorless clear liquid (est)
Assay:	95.00 to 100.00
Food Chemicals Codex Listed:	No
Specific Gravity:	0.84900 to 0.85500 @ 25.00 °C.
Pounds per Gallon - (est).:	7.065 to 7.114
Specific Gravity:	0.84900 to 0.85500 @ 25.00 °C.
Pounds per Gallon - est.:	7.065 to 7.114
Refractive Index:	1.42300 to 1.42900 @ 20.00 °C.
Melting Point:	-38.00 °C. @ 760.00 mm Hg
Boiling Point:	270.00 °C. @ 760.00 mm Hg
Vapor Pressure:	0.021400 mmHg @ 25.00 °C.
Flash Point:	229.00 °F. TCC ( 109.44 °C. )
logP (o/w):	5.371 (est)
Soluble in:
	alcohol
	water, 1.130 mg/L @ 25 °C (est)
Insoluble in:
	water
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isobutyl nonanoate
ethyl nonanoate
geranyl nonanoate
heptyl nonanoate
hexyl nonanoate
methyl nonanoate
nonyl nonanoate
octyl nonanoate
phenethyl nonanoate
propyl nonanoate
isopropyl nonanoate

Organoleptic Properties:

Odor Type: floral

orange apricot rose

Odor Description:at 100.00 %. orange apricot rose

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

Cosmetic Information:

None found

Suppliers:

BOC Sciences

For experimental / research use only.

Butyl nonan-1-oate

Inoue Perfumery

BUTYL NONANOATE

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 butyl nonanoate usage levels up to:
	6.0000 % in the fragrance concentrate.

Maximised Survey-derived Daily Intakes (MSDI-EU):		1.30 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI):		3900 (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/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 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 ACToR:Toxicology Data

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :39742

National Institute of Allergy and Infectious Diseases:Data

butyl nonanoate

Chemidplus:0050623579

References:

	butyl nonanoate
NIST Chemistry WebBook:	Search Inchi
Canada Domestic Sub. List:	50623-57-9
Pubchem (cid):	39742
Pubchem (sid):	135002043
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
HMDB (The Human Metabolome Database):	Search
Export Tariff Code:	2915.90.0000
VCF-Online:	VCF Volatile Compounds in Food
ChemSpider:	View