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

3-methyl-1-pentanol
3-methylpentan-1-ol

Sponsors

Name:3-methylpentan-1-ol
CAS Number: 589-35-5Picture of molecule3D/inchi
Other:20281-83-8
ECHA EINECS - REACH Pre-Reg:209-644-9
FDA UNII:N8W93SI0FS
Nikkaji Web:J94.876D
Beilstein Number:1718979
MDL:MFCD00002937
CoE Number:10275
XlogP3-AA:1.80 (est)
Molecular Weight:102.17678000
Formula:C6 H14 O
BioActivity Summary:listing
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
PubMed:Search
NCBI:Search
JECFA Food Flavoring:263 3-methyl-1-pentanol
FLAVIS Number:02.115 (Old)
DG SANTE Food Flavourings:02.115 3-methylpentan-1-ol
FEMA Number:3762 3-methyl-1-pentanol
FDA Mainterm: 3-METHYL-1-PENTANOL
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 99.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.82100 to 0.82900 @ 25.00 °C.
Pounds per Gallon - (est).: 6.832 to 6.898
Refractive Index:1.41600 to 1.42300 @ 20.00 °C.
Boiling Point: 151.00 to 152.00 °C. @ 760.00 mm Hg
Vapor Pressure:1.264000 mm/Hg @ 25.00 °C. (est)
Flash Point: 138.00 °F. TCC ( 58.89 °C. )
logP (o/w): 1.702 (est)
Soluble in:
 alcohol
 water, 1.195e+004 mg/L @ 25 °C (est)
 water, 4300 mg/L @ 25 °C (exp)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: fermented
Odor Strength:medium
Substantivity: > 8 hour(s) at 100.00 %
fusel cognac winey cocoa green fruity
Odor Description:at 100.00 %. fusel cognac wine cocoa green fruity
pungent fusel cognac winey cocoa green fruity
Odor Description:Pungent, fusel, cognac and wine, cocoa, with green fruity undernotes
Mosciano, Gerard P&F 15, No. 6, 35, (1990)
Flavor Type: whiskey
whiskey green apple alcoholic
Taste Description: at 30.00 ppm. Whiskey, green, apple,with an alcoholic nuance
Mosciano, Gerard P&F 15, No. 6, 35, (1990)
Odor and/or flavor descriptions from others (if found).
Bedoukian Research
3-METHYL PENTANOL ≥99.0%, Kosher
Odor Description:earthy, green
For an earthy note in fragrances.
Taste Description:Tenacity on Blotter:
Cocoa, creamy notes for milk chocolate.
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
Bedoukian Research
3-METHYL PENTANOL
≥99.0%, Kosher
Odor: earthy, green
Use: For an earthy note in fragrances.
Flavor: Tenacity on Blotter:
Cocoa, creamy notes for milk chocolate.
BOC Sciences
For experimental / research use only.
3-METHYL-1-PENTANOL 99.0%
Parchem
3-methyl-1-pentanol
Penta International
3-METHYL-1-PENTANOL, Kosher
Sigma-Aldrich
3-Methyl-1-pentanol, ≥99%, FG
Odor: chocolate; green; wine-like
Certified Food Grade Products
Synerzine
3-Methyl-1-pentanol
TCI AMERICA
For experimental / research use only.
3-Methyl-1-pentanol >99.0%(GC)
Tengzhou Xiang Yuan Aroma Chemicals
3-Methyl-1-pentanol
 
Safety Information:
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
 
Safety in Use Information:
Category: flavor and fragrance agents
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
 average usual ppmaverage 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: --
 
Safety References:
EPI System: View
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):589-35-5
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :11508
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 1987
WGK Germany:2
3-methylpentan-1-ol
Chemidplus:0000589355
 
References:
 3-methylpentan-1-ol
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:589-35-5
Pubchem (cid):11508
Pubchem (sid):134976541
Pherobase:View
 
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
FDA Everything Added to Food in the United States (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
RSC Learn Chemistry:View
 
Potential Blenders and core components note
For Odor
No odor group found for these
(E)-
tiglaldehyde
FL/FR
alcoholic
alcoholic
propyl alcohol
FL/FR
animal
para-
cresyl isobutyrate
FL/FR
balsamic
2-
acetyl furan
FL/FR
iso
amyl cinnamate
FL/FR
amyl cinnamate
FL/FR
butyl cinnamate
FL/FR
cinnamyl butyrate
FL/FR
fir carboxylate
FR
caramellic
fenugreek oleoresin
FL/FR
chocolate
iso
amyl phenyl acetate
FL/FR
chocolate pyrazine A
FL/FR
cocoa hexenal
FL/FR
cocoa oleoresin
FL/FR
cocoa pentenal
FL/FR
2,5-
dimethyl pyrazine
FL/FR
2,6-
dimethyl pyrazine
FL/FR
2-
methoxypyrazine
FL/FR
2-
methyl butyraldehyde
FL/FR
2,4,5-
trimethyl thiazole
FL/FR
citrus
bitter
orange peel oil brazil
FL/FR
cocoa
2-iso
butyl-3,5-(and 3,6)-dimethyl pyrazine
FL/FR
earthy
amyl octanoate
FL/FR
ethereal
decyl propionate
FL/FR
ethyl formate
FL/FR
methyl acetate
FL/FR
iso
propyl formate
FL/FR
fatty
3-
decen-2-one
FL/FR
hexyl pivalate
FR
methyl 2-hexenoate
FL/FR
fermented
iso
amyl alcohol
FL/FR
amyl alcohol
FL/FR
butyl alcohol
FL/FR
iso
butyl decanoate
FL/FR
hexanal diethyl acetal
FL/FR
2-
pentanol
FL/FR
floral
alpha-
amyl cinnamaldehyde diethyl acetal
FR
citronellyl propionate
FL/FR
gamma-
damascone
FR
6,8-
dimethyl-2-nonanol
FR
ethyl phenyl acetate
FL/FR
(E)-
geranyl acetone
FL/FR
lily propanol
FR
papaya isobutyrate
FL/FR
fruity
acetaldehyde dihexyl acetal
FL/FR
allyl cyclohexyl propionate
FL/FR
allyl heptanoate
FL/FR
amyl decanoate
FL/FR
amyl hexanoate
FL/FR
berry pentadienoate
FL/FR
ethyl (E)-2-decenoate
FL/FR
ethyl butyrate
FL/FR
ethyl heptanoate
FL/FR
ethyl methyl-para-tolyl glycidate
FL/FR
geranyl isovalerate
FL/FR
4-
heptanone
FL/FR
heptyl isobutyrate
FL/FR
hexanal propylene glycol acetal
FL/FR
(Z)-3-
hexen-1-yl 2-methyl-2-pentenoate
FR
hexyl isovalerate
FL/FR
hexyl propionate
FL/FR
linalyl hexanoate
FL/FR
methyl valerate
FL/FR
4-
phenyl-2-butyl acetate
FL/FR
propyl acetate
FL/FR
green
acetaldehyde benzyl 2-methoxyethyl acetal
FL/FR
acetaldehyde methyl hexyl acetal
FR
iso
amyl formate
FL/FR
butyl 2-methyl butyrate
FL/FR
cognac heptanone
FL/FR
ethyl (E)-2-hexenoate
FL/FR
ethyl (E)-4-decenoate
FL/FR
green dioxolane
FR
green note propionate
FL/FR
(Z)-3-
hexen-1-yl (E)-2-hexenoate
FL/FR
(E)-2-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl hexanoate
FL/FR
(Z)-3-
hexen-1-yl isovalerate
FL/FR
(E)-2-
hexen-1-yl propionate
FL/FR
(Z)-3-
hexen-1-yl propionate
FL/FR
(E)-2-
hexen-1-yl valerate
FL/FR
(Z)-3-
hexen-1-yl valerate
FL/FR
2-
hexenyl acetate
FL/FR
hexyl butyrate
FL/FR
hexyl isobutyrate
FL/FR
hexyl octanoate
FL/FR
2,6-
nonadien-1-ol
FL/FR
(E)-2-
pentenal
FL/FR
phenyl acetaldehyde
FL/FR
alpha-iso
propyl phenyl acetaldehyde
FL/FR
sorbyl isobutyrate
FL/FR
thiogeraniol
FL/FR
herbal
anthemis nobilis flower oil roman
FL/FR
white
cognac oil
FL/FR
hexanol
FL/FR
tricyclodecyl acetate
FR
gamma-
valerolactone
FL/FR
milky
laevo-
glutamine
CS
musty
cocoa butenal
FL/FR
nutty
3,6-
cocoa pyrazine
FL/FR
2,6-
lutidine
FL/FR
2-
methyl pyrazine
FL/FR
2,3,5,6-
tetramethyl pyrazine
FL/FR
2,3,5-
trimethyl pyrazine
FL/FR
vinyl sulfurol
FL/FR
roasted
fenugreek resinoid
FL/FR
soapy
ethyl undecanoate
FL/FR
sulfurous
buchu mercaptan
FL/FR
waxy
9-
decenoic acid
FL/FR
(E)-
methyl geranate
FL/FR
phenethyl octanoate
FL/FR
woody
woody acetate
FR
For Flavor
No flavor group found for these
acetaldehyde benzyl 2-methoxyethyl acetal
FL/FR
allyl tiglate
FL
amyl decanoate
FL/FR
amyl octanoate
FL/FR
butyl 2-methyl butyrate
FL/FR
butyl cinnamate
FL/FR
iso
butyl decanoate
FL/FR
2-iso
butyl-3,5-(and 3,6)-dimethyl pyrazine
FL/FR
2(4)-iso
butyl-4(2),6-dimethyl dihydro-4H-1,3,5-dithiazine
FL
chocolate pyrazine A
FL/FR
decyl propionate
FL/FR
4,5-
dimethyl-2-ethyl thiazole
FL
(E,E)-2,4-
heptadien-1-ol
FL
hexanal diethyl acetal
FL/FR
2-
hexenal diethyl acetal
FL
2-
hexenyl acetate
FL/FR
hexyl propionate
FL/FR
linalyl hexanoate
FL/FR
2-
methoxypyrazine
FL/FR
methyl 2-hexenoate
FL/FR
methyl 4-pentenoate
FL
(E)-
methyl geranate
FL/FR
peanut dithiazine
FL
4-
phenyl-2-butyl acetate
FL/FR
alpha-iso
propyl phenyl acetaldehyde
FL/FR
(E)-
tiglaldehyde
FL/FR
sorbyl isobutyrate
FL/FR
alcoholic
alcoholic
propyl alcohol
FL/FR
aromatic
para-
cresyl isobutyrate
FL/FR
balsamic
amyl cinnamate
FL/FR
berry
heptyl isobutyrate
FL/FR
bitter
methyl ethoxypyrazine
FL
brown
fenugreek oleoresin
FL/FR
caramellic
fenugreek resinoid
FL/FR
chocolate
cocoa oleoresin
FL/FR
cocoa propanal
FL
citrus
cognac heptanone
FL/FR
cocoa
butyraldehyde
FL
cocoa hexenal
FL/FR
earthy
1-
hexen-3-yl acetate
FL
estery
propyl acetate
FL/FR
ethereal
ethyl formate
FL/FR
methyl acetate
FL/FR
fatty
ethyl (E)-4-decenoate
FL/FR
floral
iso
amyl cinnamate
FL/FR
iso
amyl phenyl acetate
FL/FR
citronellyl propionate
FL/FR
cocoa pentenal
FL/FR
(E)-
geranyl acetone
FL/FR
fruity
allyl cyclohexyl propionate
FL/FR
allyl heptanoate
FL/FR
amyl hexanoate
FL/FR
berry pentadienoate
FL/FR
butyl alcohol
FL/FR
ethyl (E)-2-decenoate
FL/FR
ethyl (E)-2-hexenoate
FL/FR
ethyl butyrate
FL/FR
ethyl heptanoate
FL/FR
ethyl methyl-para-tolyl glycidate
FL/FR
4-
heptanone
FL/FR
hexanal propylene glycol acetal
FL/FR
(Z)-3-
hexen-1-yl (E)-2-hexenoate
FL/FR
methyl valerate
FL/FR
bitter
orange peel oil brazil
FL/FR
phenethyl octanoate
FL/FR
iso
propyl formate
FL/FR
fusel
amyl alcohol
FL/FR
iso
amyl alcohol
FL/FR
white
cognac oil
FL/FR
2-
methyl butyraldehyde
FL/FR
green
acetaldehyde dihexyl acetal
FL/FR
iso
amyl formate
FL/FR
cocoa butenal
FL/FR
3-
decen-2-one
FL/FR
2-
ethyl butyraldehyde
FL
geranyl isovalerate
FL/FR
green note propionate
FL/FR
hexanol
FL/FR
(E)-2-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl hexanoate
FL/FR
(Z)-3-
hexen-1-yl isovalerate
FL/FR
(E)-2-
hexen-1-yl propionate
FL/FR
(Z)-3-
hexen-1-yl propionate
FL/FR
(E)-2-
hexen-1-yl valerate
FL/FR
(Z)-3-
hexen-1-yl valerate
FL/FR
(E)-2-
hexenal diethyl acetal
FL
hexyl butyrate
FL/FR
hexyl isobutyrate
FL/FR
hexyl isovalerate
FL/FR
hexyl octanoate
FL/FR
4-
methyl-2-pentenal
FL
2,6-
nonadien-1-ol
FL/FR
papaya isobutyrate
FL/FR
(E)-2-
pentenal
FL/FR
herbal
anthemis nobilis flower oil roman
FL/FR
honey
ethyl phenyl acetate
FL/FR
phenyl acetaldehyde
FL/FR
minty
thiogeraniol
FL/FR
musty
2,5-
dimethyl pyrazine
FL/FR
2-
pentanol
FL/FR
2,3,5-
trimethyl pyrazine
FL/FR
nutty
2-
acetyl furan
FL/FR
3,6-
cocoa pyrazine
FL/FR
2,6-
dimethyl pyrazine
FL/FR
2,4-
dimethyl-5-vinyl thiazole
FL
2,6-
lutidine
FL/FR
2-
methyl pyrazine
FL/FR
2,3,5,6-
tetramethyl pyrazine
FL/FR
2,4,5-
trimethyl thiazole
FL/FR
vinyl sulfurol
FL/FR
sour
3-
methyl valeric acid
FL
sulfurous
buchu mercaptan
FL/FR
tonka
gamma-
valerolactone
FL/FR
waxy
9-
decenoic acid
FL/FR
ethyl undecanoate
FL/FR
winey
cinnamyl butyrate
FL/FR
 
Potential Uses:
FRapple
FRbanana
FRcitrus
FRearth humus
 fermented
FRgeranium
FRsaffron
 tea
FLtomato
 whiskey
FRwine
 
Occurrence (nature, food, other):note
 apple fruit
PbMd Search Picture
 brandy
Search PMC Picture
 chamomile oil @ 0.19%
Data GC Search Picture
 cheese
Search PMC Picture
 cornmint plant
Search Trop Picture
 lamb
Search PMC Picture
 potato
Search Trop Picture
 rum
Search PMC Picture
 tomato
Search Trop Picture
 whiskey
Search Picture
 wine orange wine
Search Picture
 
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-
 

Articles:

PubMed:Volatile composition screening of Salix spp. nectar honey: benzenecarboxylic acids, norisoprenoids, terpenes, and others.
PubMed:Fragrance material review on 3-methyl-1-pentanol.
PubMed:Male and female noctuid moths attracted to synthetic lures in Europe.
PubMed:Expanding metabolism for biosynthesis of nonnatural alcohols.
PubMed:Characterization of the most odor-active volatiles of orange wine made from a Turkish cv. Kozan (Citrus sinensis L. Osbeck).
PubMed:Volatile metabolite production of spoilage micro-organisms on a mixed-lettuce agar during storage at 7 degrees C in air and low oxygen atmosphere.
PubMed:Solid-phase dynamic extraction for the enrichment of polar volatile organic compounds from water.
PubMed:An efficient and general route to reduced polypropionates via Zr-catalyzed asymmetric CC bond formation.
PubMed:New chemical attractants for trapping Lacanobia subjuncta, Mamestra configurata, and Xestia c-nigrum (Lepidoptera: Noctuidae).
 
Notes:
None found
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