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

3-methyl-3-pentanol
3-pentanol, 3-methyl-

Supplier Sponsors

Name:3-methylpentan-3-ol
CAS Number: 77-74-7Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:201-053-4
FDA UNII: SR4551FEKB
Nikkaji Web:J69.490H
Beilstein Number:1731456
MDL:MFCD00004483
CoE Number:10277
XlogP3:1.40 (est)
Molecular Weight:102.17678000
Formula:C6 H14 O
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:flavoring agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
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NCBI:Search
DG SANTE Food Flavourings:02.184 3-methylpentan-3-ol
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.82400 to 0.83000 @ 25.00 °C.
Pounds per Gallon - (est).: 6.857 to 6.906
Refractive Index:1.41500 to 1.42100 @ 20.00 °C.
Melting Point: -38.00 °C. @ 760.00 mm Hg
Boiling Point: 121.00 to 123.00 °C. @ 760.00 mm Hg
Vapor Pressure:6.653000 mmHg @ 25.00 °C. (est)
Flash Point: 115.00 °F. TCC ( 46.11 °C. )
logP (o/w): 1.603 (est)
Soluble in:
 alcohol
 water, 1.286e+004 mg/L @ 25 °C (est)
 water, 4.26E+04 mg/L @ 25 °C (exp)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: green
fruity green leafy
Odor Description:at 1.00 % in dipropylene glycol. powerful fruity green leafy
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
DeLong Chemicals America
3-Methyl-3-pentanol
Penta International
3-METHYL-3-PENTANOL
Santa Cruz Biotechnology
For experimental / research use only.
3-Methyl-3-pentanol
Sigma-Aldrich
3-Methyl-3-pentanol, ≥99%, FG
Odor: fruity; green
Certified Food Grade Products
TCI AMERICA
For experimental / research use only.
3-Methyl-3-pentanol >98.0%(GC)
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xn - Harmful.
R 10 - Flammable.
R 22 - Harmful if swallowed.
S 02 - Keep out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
S 20/21 - When using do not eat, drink or smoke.
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 37/39 - Wear suitable 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-rat LD50 710 mg/kg
(Brown et al., 1955)

oral-mouse LDLo 750 mg/kg
"Narkoseversuche mit Hoheren Alkoholen und Stickstoffderivaten, Dissertation," Leube, F., Pharmakologischen Institut der Universitat Tubingen, Fed. Rep. Ger., 1931Vol. -, Pg. -, 1931.

oral-rat LD50 710 mg/kg
Journal of Pharmacology and Experimental Therapeutics. Vol. 115, Pg. 230, 1955.

Dermal Toxicity:
subcutaneous-mouse LD50 1100 mg/kg
Arzneimittel-Forschung. Drug Research. Vol. 5, Pg. 161, 1955.

Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
flavoring agents
Recommendation for 3-methyl-3-pentanol usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.0012 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 3900 (μg/person/day)
Threshold of Concern:540 (μg/person/day)
Structure Class: II
 
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/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 7.0000035.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 5.0000025.00000
Edible ices, including sherbet and sorbet (03.0): 10.0000050.00000
Processed fruit (04.1): 7.0000035.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 10.0000050.00000
Chewing gum (05.3): --
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 5.0000025.00000
Bakery wares (07.0): 10.0000050.00000
Meat and meat products, including poultry and game (08.0): 2.0000010.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 2.0000010.00000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 5.0000025.00000
Foodstuffs intended for particular nutritional uses (13.0): 10.0000050.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 5.0000025.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 10.0000050.00000
Ready-to-eat savouries (15.0): 20.00000100.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 5.0000025.00000
 
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):

Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 18 (FGE.18): Aliphatic, alicyclic and aromatic saturated and unsaturated tertiary alcohols, aromatic tertiary alcohols and their esters from chemical group 6
View page or View pdf

Flavouring Group Evaluation 18, Revision 1 (FGE. 18 Rev1)[1] : Aliphatic, alicyclic and aromatic saturated and unsaturated tertiary alcohols, aromatic tertiary alcohols and their esters from chemical groups 6 and 8
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 90 (FGE.90): Consideration of Aliphatic, acyclic and alicyclic terpenoid tertiary alcohols and structurally related substances evaluated by JECFA (68th meeting)FGE.18Rev1 (2009)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 18, Revision 2 (FGE.18Rev2): Aliphatic, alicyclic and aromatic saturated and unsaturated tertiary alcohols, aromatic tertiary alcohols and their esters from chemical groups 6 and 8.
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 18, Revision 3 (FGE.18Rev3): Aliphatic, alicyclic and aromatic saturated and unsaturated tertiary alcohols, aromatic tertiary alcohols and their esters from chemical groups 6 and 8.
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):77-74-7
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :6493
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 1987
WGK Germany:3
3-methylpentan-3-ol
Chemidplus:0000077747
RTECS:SA7450000 for cas# 77-74-7
 
References:
 3-methylpentan-3-ol
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):6493
Pubchem (sid):134972646
 
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
CHEMBL:View
HMDB (The Human Metabolome Database):Search
FooDB:FDB004621
Export Tariff Code:2905.19.9090
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
 
Potential Blenders and core components note
For Odor
No odor group found for these
(E)-
tiglaldehyde
FL/FR
animal
animal
para-
cresyl isobutyrate
FL/FR
balsamic
iso
amyl benzoate
FL/FR
citrus
2-
heptanol
FL/FR
petitgrain combava oil
FR
dairy
methyl butyl phenyl acetate
FL/FR
ethereal
2-
methyl valeraldehyde
FL/FR
fatty
3-
decen-2-one
FL/FR
methyl (E)-2-hexenoate
FL/FR
methyl 2-hexenoate
FL/FR
(E)-2-
octenal
FL/FR
fermented
3-
methyl-1-pentanol
FL/FR
floral
allyl anthranilate
FL/FR
boronia absolute
FL/FR
citronellyl propionate
FL/FR
gamma-
damascone
FR
6,8-
dimethyl-2-nonanol
FR
(E)-
geranyl acetone
FL/FR
papaya isobutyrate
FL/FR
fruity
acetaldehyde dihexyl acetal
FL/FR
allyl butyrate
FL/FR
iso
amyl butyrate
FL/FR
amyl hexanoate
FL/FR
iso
amyl isovalerate
FL/FR
iso
amyl octanoate
FL/FR
artemisia pallens herb oil
FL/FR
berry pentadienoate
FL/FR
butyl 2-methyl butyrate
FL/FR
butyl isobutyrate
FL/FR
iso
butyl propionate
FL/FR
cherry pentenoate
FL/FR
2-
cyclopentyl cyclopentanone
FL/FR
davana oil CO2 extract
FL/FR
diethyl malonate
FL/FR
dimethyl succinate
FL/FR
ethyl 2-octenoate
FL/FR
ethyl 3-acetoxyhexanoate
FL/FR
ethyl acetoacetate
FL/FR
ethyl methyl-para-tolyl glycidate
FL/FR
geranyl isovalerate
FL/FR
heptyl isobutyrate
FL/FR
hexanal propylene glycol acetal
FL/FR
2-
hexen-1-ol
FL/FR
(E)-2-
hexen-1-ol
FL/FR
(Z)-3-
hexen-1-yl 2-methyl-2-pentenoate
FR
(E)-3-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl isobutyrate
FL/FR
hexyl (E)-tiglate
FL/FR
hexyl acetate
FL/FR
hexyl isovalerate
FL/FR
hexyl propionate
FL/FR
linalyl hexanoate
FL/FR
methyl 3-nonenoate
FL/FR
2-
methyl butyl 2-methyl butyrate
FL/FR
methyl heptanoate
FL/FR
methyl valerate
FL/FR
octen-1-yl cyclopentanone
FL/FR
octyl butyrate
FL/FR
2-
pentyl furan
FL/FR
4-
phenyl-2-butyl acetate
FL/FR
pineapple pentenoate
FL/FR
prenol
FL/FR
prenyl ethyl ether
FL/FR
prenyl hexanoate
FL/FR
iso
propyl 2-methyl butyrate
FL/FR
rhubarb undecane
FR
tetrahydrofurfuryl butyrate
FL/FR
tropical indene
FR
tropical thiazole
FL/FR
green
acetaldehyde benzyl 2-methoxyethyl acetal
FL/FR
acetaldehyde butyl phenethyl acetal
FL/FR
acetaldehyde di-(Z)-3-hexen-1-yl acetal
FL/FR
acetaldehyde dipropyl acetal
FL/FR
acetaldehyde ethyl phenethyl acetal
FL/FR
acetaldehyde methyl hexyl acetal
FR
iso
amyl formate
FL/FR
cognac heptanone
FL/FR
alpha-
decalactone
FL/FR
ethyl (E)-2-hexenoate
FL/FR
ethyl (E)-4-decenoate
FL/FR
galbanum oil terpeneless
FL/FR
geranium absolute
FL/FR
1-
heptanol
FL/FR
heptyl cinnamate
FL/FR
(Z)-2-
hexen-1-ol
FL/FR
3-
hexen-1-ol
FL/FR
(Z)-3-
hexen-1-yl (E)-2-hexenoate
FL/FR
(Z)-3-
hexen-1-yl (E)-crotonate
FL/FR
(E)-2-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl benzoate
FL/FR
(E)-2-
hexen-1-yl formate
FL/FR
(E)-2-
hexen-1-yl hexanoate
FL/FR
(Z)-3-
hexen-1-yl hexanoate
FL/FR
(Z)-3-
hexen-1-yl isovalerate
FL/FR
(Z)-3-
hexen-1-yl lactate
FL/FR
(Z)-3-
hexen-1-yl methyl carbonate
FL/FR
(E)-2-
hexen-1-yl propionate
FL/FR
(Z)-3-
hexen-1-yl valerate
FL/FR
(E)-2-
hexen-1-yl valerate
FL/FR
(E)-2-
hexenal
FL/FR
3-
hexenal
FL/FR
2-
hexenyl acetate
FL/FR
hexyl butyrate
FL/FR
hexyl heptanoate
FL/FR
hexyl isobutyrate
FL/FR
hexyl octanoate
FL/FR
(Z)-
leaf acetal
FL/FR
leafy acetal
FL/FR
manzanate (Givaudan)
FL/FR
methyl heptine carbonate
FL/FR
(E,Z)-2,6-
nonadien-1-yl acetate
FL/FR
octanal dimethyl acetal
FL/FR
(Z)-5-
octen-1-yl propionate
FL/FR
(E)-2-
pentenal
FL/FR
phenoxyethyl isobutyrate
FL/FR
3-
phenyl propionaldehyde
FL/FR
alpha-iso
propyl phenyl acetaldehyde
FL/FR
iso
propyl phenyl propionaldehyde
FR
propylene acetal
FL/FR
rose leaf absolute (rosa centifolia)
FL/FR
sorbyl isobutyrate
FL/FR
styralyl acetate
FL/FR
thiogeraniol
FL/FR
violet dienyne
FR
violet leaf oil (viola odorata)
FL/FR
herbal
sweet
basil absolute
FL/FR
lovage tincture
FL/FR
rosemary oleoresin
FL/FR
tricyclodecyl acetate
FR
minty
iso
pulegyl formate
FL/FR
pine
plectranthus glandulosus hook f. leaf oil cameroon
FR
sulfurous
buchu mercaptan
FL/FR
3-(
methyl thio) hexanol
FL/FR
tropical
beta-
cyclocitral
FL/FR
waxy
9-
decenoic acid
FL/FR
(E)-
methyl geranate
FL/FR
octyl 2-methyl butyrate
FL/FR
woody
verdoxan
FR
woody acetate
FR
For Flavor
No flavor group found for these
acetaldehyde benzyl 2-methoxyethyl acetal
FL/FR
acetaldehyde di-(Z)-3-hexen-1-yl acetal
FL/FR
allyl anthranilate
FL/FR
allyl tiglate
FL
2-
cyclopentyl cyclopentanone
FL/FR
alpha-
decalactone
FL/FR
ethyl 3-acetoxyhexanoate
FL/FR
(E,E)-2,4-
heptadien-1-ol
FL
heptyl cinnamate
FL/FR
3-
hexen-1-ol
FL/FR
(Z)-3-
hexen-1-yl (E)-crotonate
FL/FR
(E)-2-
hexenal
FL
2-
hexenal
FL
2-
hexenal diethyl acetal
FL
2-
hexenyl acetate
FL/FR
hexyl (E)-2-hexenoate
FL
hexyl heptanoate
FL/FR
hexyl propionate
FL/FR
linalyl hexanoate
FL/FR
methyl (E)-2-hexenoate
FL/FR
methyl 2-hexenoate
FL/FR
methyl 4-pentenoate
FL
(E)-
methyl geranate
FL/FR
(E)-2-
methyl-2-octenal
FL
2-
methyl-2-octenal
FL
2-
methyl-3-heptanone
FL
(E,E)-3,5-
octadien-2-one
FL
1,5-
octadien-3-ol
FL
4-
phenyl-2-butyl acetate
FL/FR
prenyl ethyl ether
FL/FR
prenyl hexanoate
FL/FR
alpha-iso
propyl phenyl acetaldehyde
FL/FR
propylene acetal
FL/FR
iso
pulegyl formate
FL/FR
(E)-
tiglaldehyde
FL/FR
sorbyl isobutyrate
FL/FR
alliaceous
alliaceous
tropical thiazole
FL/FR
aromatic
para-
cresyl isobutyrate
FL/FR
leafy acetal
FL/FR
berry
heptyl isobutyrate
FL/FR
citrus
cognac heptanone
FL/FR
cooling
manzanate (Givaudan)
FL/FR
dairy
methyl butyl phenyl acetate
FL/FR
earthy
1-
hexen-3-yl acetate
FL
estery
ethyl acetoacetate
FL/FR
fatty
ethyl (E)-4-decenoate
FL/FR
(Z)-3-
hexen-1-yl benzoate
FL/FR
(E)-2-
octenal
FL/FR
floral
citronellyl propionate
FL/FR
(E)-
geranyl acetone
FL/FR
fruity
iso
amyl benzoate
FL/FR
amyl hexanoate
FL/FR
iso
amyl octanoate
FL/FR
artemisia pallens herb oil
FL/FR
berry pentadienoate
FL/FR
boronia absolute
FL/FR
butyl 2-methyl butyrate
FL/FR
butyl isobutyrate
FL/FR
iso
butyl propionate
FL/FR
cherry pentenoate
FL/FR
davana oil CO2 extract
FL/FR
diethyl malonate
FL/FR
dimethyl succinate
FL/FR
ethyl (E)-2-hexenoate
FL/FR
ethyl (E)-2-octenoate
FL
ethyl 2-octenoate
FL/FR
ethyl methyl-para-tolyl glycidate
FL/FR
furfuryl propionate
FL
2-
heptanol
FL/FR
hexanal propylene glycol acetal
FL/FR
2-
hexen-1-ol
FL/FR
(Z)-3-
hexen-1-yl (E)-2-hexenoate
FL/FR
(E)-3-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl isobutyrate
FL/FR
hexyl acetate
FL/FR
methyl (E)-3-nonenoate
FL
methyl 3-nonenoate
FL/FR
2-
methyl butyl 2-methyl butyrate
FL/FR
methyl heptanoate
FL/FR
methyl valerate
FL/FR
octen-1-yl cyclopentanone
FL/FR
pineapple pentenoate
FL/FR
prenol
FL/FR
iso
propyl 2-methyl butyrate
FL/FR
styralyl acetate
FL/FR
tetrahydrofurfuryl butyrate
FL/FR
green
acetaldehyde butyl phenethyl acetal
FL/FR
acetaldehyde dihexyl acetal
FL/FR
acetaldehyde dipropyl acetal
FL/FR
acetaldehyde ethyl phenethyl acetal
FL/FR
allyl butyrate
FL/FR
iso
amyl formate
FL/FR
iso
amyl isovalerate
FL/FR
3-
decen-2-one
FL/FR
galbanum oil terpeneless
FL/FR
geranium absolute
FL/FR
geranyl isovalerate
FL/FR
(Z)-2-
hexen-1-ol
FL/FR
(E)-2-
hexen-1-ol
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
(E)-2-
hexen-1-yl hexanoate
FL/FR
(Z)-3-
hexen-1-yl isovalerate
FL/FR
(Z)-3-
hexen-1-yl lactate
FL/FR
(Z)-3-
hexen-1-yl methyl carbonate
FL/FR
(E)-2-
hexen-1-yl propionate
FL/FR
(Z)-3-
hexen-1-yl valerate
FL/FR
(E)-2-
hexen-1-yl valerate
FL/FR
(E)-2-
hexenal
FL/FR
3-
hexenal
FL/FR
(E)-2-
hexenal diethyl acetal
FL
hexyl (E)-tiglate
FL/FR
hexyl butyrate
FL/FR
hexyl isobutyrate
FL/FR
hexyl isovalerate
FL/FR
hexyl octanoate
FL/FR
(Z)-
leaf acetal
FL/FR
methyl 2-undecynoate
FL
methyl heptine carbonate
FL/FR
(E,Z)-2,6-
nonadien-1-yl acetate
FL/FR
octanal dimethyl acetal
FL/FR
(Z)-5-
octen-1-yl propionate
FL/FR
papaya isobutyrate
FL/FR
(E)-2-
pentenal
FL/FR
2-
pentyl furan
FL/FR
phenoxyethyl isobutyrate
FL/FR
3-
phenyl propionaldehyde
FL/FR
rose leaf absolute (rosa centifolia)
FL/FR
thiogeraniol
FL/FR
violet leaf oil (viola odorata)
FL/FR
herbal
sweet
basil absolute
FL/FR
lovage tincture
FL/FR
rosemary oleoresin
FL/FR
metallic
3-(
methyl thio) hexanol
FL/FR
rummy
(E)-2-
hexen-1-yl formate
FL/FR
solvent
1-
heptanol
FL/FR
sour
3-
methyl valeric acid
FL
sulfurous
buchu mercaptan
FL/FR
tropical
beta-
cyclocitral
FL/FR
vegetable
2-
methyl valeraldehyde
FL/FR
waxy
iso
amyl butyrate
FL/FR
9-
decenoic acid
FL/FR
octyl 2-methyl butyrate
FL/FR
octyl butyrate
FL/FR
whiskey
3-
methyl-1-pentanol
FL/FR
 
Potential Uses:
FRcyclamen
FRfruit
FLgreen
 leaf
 
Occurrence (nature, food, other):note
 pepper bell pepper fruit
Search Trop Picture
 plumcot fruit - 0.034 mg/kg
Search PMC Picture
 
Synonyms:
 acetone dimethyl ketal
 acetone-dimethyl acetal
 acetone, dimethyl acetal
 diethyl methyl carbinol
2-ethinylbutanol
 ethinylmethylethylcarbinol
 mepentamato
 methyl diethyl carbinol
3-methyl pentan-3-ol
 methyldiethylcarbinol
3-methylpentan-3-ol
3-methylpentin-3-ol
 metilpentinolo
 pentan-3-ol, 3-methyl-
3-pentanol, 3-methyl-
 pentydrom
m-pentynol
 placidal
 
 
Notes:
None found
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