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

isoprenol
3-buten-1-ol, 3-methyl-

Supplier Sponsors

CAS Number: 763-32-6Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:212-110-8
FDA UNII:KJ25C8CPFA
Nikkaji Web:J126.164I
Beilstein Number:1071239
MDL:MFCD00002933
CoE Number:10260
XlogP3-AA:1.30 (est)
Molecular Weight:86.13390000
Formula:C5 H10 O
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
DG SANTE Food Flavourings:02.176 3-methylbut-3-en-1-ol
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.85000 to 0.85600 @ 25.00 °C.
Pounds per Gallon - (est).: 7.073 to 7.123
Refractive Index:1.43100 to 1.43700 @ 20.00 °C.
Boiling Point: 130.00 °C. @ 760.00 mm Hg
Vapor Pressure:10.245000 mmHg @ 25.00 °C. (est)
Flash Point: 108.00 °F. TCC ( 42.00 °C. )
logP (o/w): 1.098 (est)
Soluble in:
 alcohol
 water, 170 g/L @ 20 °C (exp)
 water, 3.507e+004 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Description:sweet fruity
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
BOC Sciences
For experimental / research use only.
isoPrenol >98.0%(GC)
Ernesto Ventós
IsoPRENOL (3-METHYL-3-BUTEN-1-OL) BASF
Penta International
3-METHYL-3-BUTEN-1-OL
Santa Cruz Biotechnology
For experimental / research use only.
3-Methyl-3-buten-1-ol
Sigma-Aldrich
3-Methyl-3-buten-1-ol, ≥97%
Certified Food Grade Products
TCI AMERICA
For experimental / research use only.
3-Methyl-3-buten-1-ol >98.0%(GC)
WholeChem
3-Methyl-3-buten-1-ol
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 10 - Flammable.
R 36/38 - Irritating to skin and eyes.
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 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 > 5440 mg/kg
(BASF, 1968)

oral-rat LD50 3652 mg/kg
(BASF, 1968)

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
flavor and fragrance agents
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.13 (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/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
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 6 (FGE.06): Straight-and branched-chain aliphatic unsatured primary alcohols, aldehydes, carboxylic acids, and esters from chemical groups 1 and 4
View page or View pdf

Flavouring Group Evaluation 6, Revision 1 (FGE.06Rev1) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)
View page or View pdf

Flavouring Group Evaluation 62 (FGE.62) Consideration of linear and branched-chain aliphatic unsaturated, unconjugated alcohols, aldehydes, acids, and related esters evaluated by JECFA (61st meeting) structurally related to esters of branched- and straight-chain aliphatic saturated primary alcohols and of one secondary alcohol, and branched- and straight-chain unsaturated carboxylic acids evaluated by EFSA in FGE.05 (2005) and to straight- and branched-chain aliphatic unsaturated primary alcohols, aldehydes, carboxylic acids, and esters evaluated by EFSA in FGE.06 (2004) (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf

Flavouring Group Evaluation 20, Revision 1 (FGE.20Rev1): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids and related esters from chemical group 23
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 20, Revision 2 (FGE.20Rev2): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical groups 23 and 30
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 06, Revision 2 (FGE.06Rev2): Straight- and branched-chain aliphatic unsaturated primary alcohols, aldehydes, carboxylic acids, and esters from chemical groups 1 and 4
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 20, Revision 3(FGE.20Rev3): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical groups 23 and 30
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 06, Revision 3 (FGE.06Rev3): Straight- and branched-chain aliphatic unsaturated primary alcohols, aldehydes, carboxylic acids, and esters from chemical groups 1 and 4
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 06, Revision 4 (FGE.06Rev4): Straight- and branched-chain aliphatic unsaturated primary alcohols, aldehydes, carboxylic acids and esters from chemical groups 1, 3 and 4
View page or View pdf

EPI System: View
EPA Substance Registry Services (TSCA):763-32-6
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :12988
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 1987
WGK Germany:1
3-methylbut-3-en-1-ol
Chemidplus:0000763326
RTECS:EM9473100 for cas# 763-32-6
 
References:
 3-methylbut-3-en-1-ol
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:763-32-6
Pubchem (cid):12988
Pubchem (sid):134977562
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
CHEBI:View
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB30126
FooDB:FDB001929
Export Tariff Code:2905.29.9000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 acerola (Malpighia) - up to 12.4 mg/kg
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 apple fruit - 0.01 mg/kg
Search PMC Picture
 blackberry fruit - up to 0.04
Search PMC Picture
 boysenberry fruit - up to 0.04
Search Trop Picture
 chicken roasted chicken - 0.001 mg/kg
Search PMC Picture
 coffee
Search PMC Picture
 honey - up to 0.3
Search PMC Picture
 melon - 0.01 mg/kg
Search PMC Picture
 passiflora species - up to 0.01 mg/kg
Search PMC Picture
 pineapple fruit
Search Trop Picture
 raspberry red raspberry fruit - up to 0.04
Search Trop Picture
 wine - up to 0.12 mg/kg
Search Picture
 ylang ylang oil
Search Trop Picture
 
Synonyms:
 but-3-en-1-ol, 3-methyl-
3-buten-1-ol, 3-methyl-
isobutenylcarbinol
 d(3)-isopentenyl alcohol
1-hydroxy-3-methyl-3-butene
 methallyl carbinol
 methallylcarbinol
3-methyl but-3-en-1-ol
2-methyl-1-buten-4-ol
3-methyl-3-buten-1-ol
3-methyl-3-butenol
2-methyl-4-hydroxy-1-butene
2-methyl-4-hydroxybut-1-ene
3-methyl-but-3-en-1-ol
3-methylbut-3-en-1-ol
3-methylbut-3-ene-1-ol
3-isopentenol
3-isopentenyl alcohol
isopentenyl alcohol
isoprenol
isopropenyl ethyl alcohol
isopropenylethyl alcohol
 

Articles:

PubMed:MEP Pathway-mediated isopentenol production in metabolically engineered Escherichia coli.
PubMed:Design and synthesis of non-hydrolyzable homoisoprenoid α-monofluorophosphonate inhibitors of PPAPDC family integral membrane lipid phosphatases.
PubMed:Efficient use of exogenous isoprenols for protein isoprenylation by MDA-MB-231 cells is regulated independently of the mevalonate pathway.
PubMed:Metabolic engineering of Escherichia coli for high-specificity production of isoprenol and prenol as next generation of biofuels.
PubMed:Alkynyl-farnesol reporters for detection of protein S-prenylation in cells.
PubMed:Omega-hydroxylation of farnesol by mammalian cytochromes p450.
PubMed:Utilization of geranylgeraniol for protein isoprenylation in C6 glial cells.
PubMed:Amplification of the bacA gene confers bacitracin resistance to Escherichia coli.
PubMed:Polyisoprenoid, cholesterol and ubiquinone levels in human hepatocellular carcinomas.
PubMed:Bioengineering of photosynthetic membranes. Requirement of magnesium for the conversion of chlorophyllide a to chlorophyll a during the greening of etiochloroplasts in vitro.
PubMed:Lipid-bound oligosaccharides in insects.
PubMed:Biodegradation of acyclic isoprenoids by Pseudomonas species.
 
Notes:
Constit. of ylang-ylang oil
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