3-methyl-1-pentanol

General Material Information

Preferred name	3-methyl-1-pentanol
Trivial Name	3-Methyl-1-pentanol
Short Description	3-methylpentan-1-ol
Formula	C6 H14 O
CAS Number	589-35-5
Deleted CAS Number	20281-83-8
FEMA Number	3762
Flavis Number	2.115
ECHA Number	209-644-9
FDA UNII	N8W93SI0FS
Nikkaji Number	J94.876D
Beilstein Number	1718979
MDL	MFCD00002937
COE Number	10275
xLogP3-AA	1.80 (est)
Bio Activity Summary	External link
NMR Predictor	External link
JECFA Food Flavoring	263 3-methyl-1-pentanol
FDA Patent	No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm	589-35-5 ; 3-METHYL-1-PENTANOL
Synonyms	3-ethyl-1-butanol 2-ethyl-4-butanol 2-ethylbutan-4-ol 3-ethylbutanol 3-methyl pentan-1-ol 3-methyl pentanol 3-methyl-1-pentanol 3-methylpentan-1-ol 3-methylpentanol pentanol, 3-methyl- 1-pentanol, 3-methyl- 3-methylpentan-1-ol 1-Pentanol, 3-methyl- 2-Ethyl-4-butanol 3-Ethyl-1-butanol 3-Methylpentanol (DL)-3-Methylpentyl alcohol (±)-3-Methyl-1-pentanol NSC 9466 3-Ethylbutanol

Publications by PubMed
Volatile composition screening of Salix spp. nectar honey: benzenecarboxylic acids, norisoprenoids, terpenes, and others.
Fragrance material review on 3-methyl-1-pentanol.
Male and female noctuid moths attracted to synthetic lures in Europe.
Expanding metabolism for biosynthesis of nonnatural alcohols.
Characterization of the most odor-active volatiles of orange wine made from a Turkish cv. Kozan (Citrus sinensis L. Osbeck).
Volatile metabolite production of spoilage micro-organisms on a mixed-lettuce agar during storage at 7 degrees C in air and low oxygen atmosphere.
Solid-phase dynamic extraction for the enrichment of polar volatile organic compounds from water.
An efficient and general route to reduced polypropionates via Zr-catalyzed asymmetric CC bond formation.
New chemical attractants for trapping Lacanobia subjuncta, Mamestra configurata, and Xestia c-nigrum (Lepidoptera: Noctuidae).

(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):	Search
FooDB:	FDB008173
YMDB (Yeast Metabolome Database):	YMDB01428
Export Tariff Code:	2905.19.9090
Typical G.C.
VCF-Online:	VCF Volatile Compounds in Food
ChemSpider:	View
Wikipedia:	View

Bedoukian Research	BOC Sciences
Parchem	Penta International
Sigma-Aldrich	Synerzine
TCI AMERICA	Tengzhou Xiang Yuan Aroma Chemicals
Bedoukian Research, Inc.	Penta International Corporation
Synerzine, Inc.

Material listed in food chemical codex	No
Molecular weight	102.17678070068
Specific gravity	@ 25 °C
Pounds per Gallon	6.832 to 6.898
Refractive Index	1.416 to 1.423 @ 20 °C
Boiling Point	151 to 152°C @ 760 mm Hg
Vapor Pressure	1.264 mmHg @ 25 °C
Flash Point TCC Value	58.89 °C TCC
logP (o/w)	1.702 est
Solubility
alcohol	Yes
water, 1.195e+004 mg/L @ 25 °C (est)	Yes
water, 4300 mg/L @ 25 °C (exp)	Yes
water	No

Odor Type: Fermented
fusel, cognac, winey, cocoa, green, fruity, pungent
Odor strength	medium
Substantivity	> 8 hour(s) at 100.00 %
General comment	At 100.00 %. fusel cognac wine cocoa green fruity
Mosciano, Gerard P&F 15, No. 6, 35, (1990)	Pungent, fusel, cognac and wine, cocoa, with green fruity undernotes
Flavor Type: Whiskey
whiskey, green, apple, alcoholic
Mosciano, Gerard P&F 15, No. 6, 35, (1990)	At 30.00 ppm. Whiskey, green, apple,with an alcoholic nuance
Cocoa, creamy notes for milk chocolate.	Tenacity on Blotter:

Applications	flavor and fragrance agents
Odor purposes	Apple, Banana, Citrus, Earth, Geranium, Saffron, Wine
Flavoring purposes	Fermented, Tea, Tomato, Whiskey
Cosmetic purposes	Perfuming agents

Preferred SDS: View
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 16 - Keep away from sources of ignition - No Smoking. 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 36/37/39 - Wear suitable clothing, gloves and eye/face protection.

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:
oral-mouse LD50 > 2000 mg/kg Cocoa, creamy notes for milk chocolate.
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

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-methyl-1-pentanol usage levels up to:
	2.0000 % in the fragrance concentrate.

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: 15
Click here to view publication 15
		average usual ppm	average maximum ppm
baked goods:		-	-
beverages(nonalcoholic):		-	2.00000
beverages(alcoholic):		-	-
breakfast cereal:		-	-
cheese:		-	-
chewing gum:		-	50.00000
condiments / relishes:		-	-
confectionery froastings:		-	-
egg products:		-	-
fats / oils:		-	-
fish products:		-	-
frozen dairy:		-	9.00000
fruit ices:		-	8.00000
gelatins / puddings:		-	10.00000
granulated sugar:		-	-
gravies:		-	-
hard candy:		-	10.00000
imitation dairy:		-	-
instant coffee / tea:		-	-
jams / jellies:		-	10.00000
meat products:		-	-
milk products:		-	9.00000
nut products:		-	-
other grains:		-	-
poultry:		-	-
processed fruits:		-	-
processed vegetables:		-	-
reconstituted vegetables:		-	-
seasonings / flavors:		-	-
snack foods:		-	-
soft candy:		-	-
soups:		-	-
sugar substitutes:		-	-
sweet sauces:		-	-