isoprenol
3-buten-1-ol, 3-methyl-
Identification
| Name | isoprenol |
| CAS Number | 763-32-6 |
| EINECS | 212-110-8 |
| FDA UNII | KJ25C8CPFA |
| Molecular Formula | C5 H10 O |
| Molecular Weight | 86.13390000 |
| MDL Number | MFCD00002933 |
| Nikkaji Number | J126.164I |
| Beilstein | 1071239 |
| CoE Number | 10260 |
Regulatory
| 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 |
| Insoluble in | water |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | perfuming agents |
Organoleptic Properties
| Odor Description | sweet fruity |
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | oral-rat LD50 > 5440 mg/kg |
| Dermal Toxicity | Not determined |
| Inhalation Toxicity | Not determined |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | flavor and fragrance agents |
| RIFM Fragrance Material Safety Assessment | Search |
| 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 |
| Dairy products, excluding products of category 02.0 (01.0) | 7.00000 |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0) | 5.00000 |
| Edible ices, including sherbet and sorbet (03.0) | 10.00000 |
| Processed fruit (04.1) | 7.00000 |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2) | - |
| Confectionery (05.0) | 10.00000 |
| Chewing gum (05.3) | - |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0) | 5.00000 |
| Bakery wares (07.0) | 10.00000 |
| Meat and meat products, including poultry and game (08.0) | 2.00000 |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0) | 2.00000 |
| Eggs and egg products (10.0) | - |
| Sweeteners, including honey (11.0) | - |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0) | 5.00000 |
| Foodstuffs intended for particular nutritional uses (13.0) | 10.00000 |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1) | 5.00000 |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2) | 10.00000 |
| Ready-to-eat savouries (15.0) | 20.00000 |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0) | 5.00000 |
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Potential Uses
Natural Occurrence
Synonyms
but-3-en-1-ol, 3-methyl-
3-
buten-1-ol, 3-methyl-
iso
butenylcarbinol
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-iso
pentenol
3-iso
pentenyl alcohol
iso
pentenyl alcohol
iso
prenol
iso
propenyl ethyl alcohol
iso
propenylethyl alcohol
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.