HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-Hepten-1-ol, (4Z)-
4-HEPTEN-1-OL · (z)-4-hepten-1-o · (Z)-4-Hepten-1-ol · CIS-4-HEPTEN-1-OL · (4Z)-4-Hepten-1-ol · (Z)-hept-4-en-1-ol · (4Z)-hept-4-en-1-ol · 4-Hepten-1-ol, (4Z)-
Identifiers & Physical Properties
| CAS No. | 6191-71-5 |
|---|---|
| Molecular formula | C7H14O |
| Average molar mass | 114.19 g/mol |
| Monoisotopic mass | 114.10446507 g/mol |
| SMILES | CC/C=C\CCCO |
| InChIKey | CUKAXHVLXKIPKF-ARJAWSKDSA-N |
| PubChem CID | 5367536 |
| ChEBI | CHEBI:190000 |
| EC No. | 228-238-2 |
| DTXSID | DTXSID30884234 |
Chemical & Physical Properties
| XLogP | 1.7 |
|---|---|
| Topological polar surface area | 20.2 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 4 |
| Heavy atoms | 8 |
| Formal charge | 0 |
| Complexity | 57.4 |
| Lipids | Fatty Acyls [FA] -> Fatty alcohols [FA05] |
| SpringerMaterials Properties | Density |
| Fragrances | Fragrance Ingredient ((Z)-4-Hepten-1-ol) -> IFRA transparency List |
| Food additives | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Density | 0.845-0.8530.850 g/mL at 20 °C (lit.) |
| Flavoring agents | EU Flavoring substances |
| Solubility | Insoluble in watersoluble in organic solventssoluble (in ethanol)Soluble in alcohol. Insoluble in water. |
| Boiling point | 78.00 °C. @ 23.00 mm Hg77-78 °C (23 mm Hg)78 °C/23 mmHg (lit.) |
| Refractive index | 1.440-1.448n20/D 1.445 |
| Physical Description | Clear, colourless liquid |
| Melting point | 26°C (estimate) |
| FEMA | 3841 | (Z)-4-HEPTEN-1-OL |
| FLAVIS Number | 02.249 | (4Z)-Hepten-1-ol |
| Flash point | 60°C/24mm |
| Storage conditions | Flammables area |
| pKa (acidity coefficient) | 15.12±0.10(Predicted) |
| Physical state | clear liquid |
| Color | Colorless to Almost colorless |
| Odor | at 10.00 % in dipropylene glycol. fresh oily fatty creamy vegetable dairy green grassy |
| Odor type | green |
| JECFA Number | 1280 |
| BRN | 1840300 |
| InChI | 1S/C7H14O/c1-2-3-4-5-6-7-8/h3-4,8H,2,5-7H2,1H3/b4-3- |
| InChIKey | CUKAXHVLXKIPKF-ARJAWSKDSA-N |
| SMILES | CC\C=C/CCCO |
| LogP (partition coefficient) | 2.07 |
| Substances Added to Food (formerly EAFUS) | (Z)-4-HEPTEN-1-OL |
| FDA UNII | 802K6ZTP9Q |
| EPA Substance Registry System | 4-Hepten-1-ol, (4Z)- (6191-71-5) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS02 |
| Signal word | Warning |
| GHS hazard statements | H227 |
| GHS precautionary statements | P210-P280-P370+P378-P403+P235-P501-P210e-P280a-P370+P378a-P501a |
| Personal protective equipment (PPE) | Eyeshields, Gloves |
| Risk statements (R) | 10 |
| Safety statements (S) | 16 |
| UN transport number | 1987 |
| Water hazard class (WGK) | 3 |
| F | 10-23 |
| TSCA inventory status | TSCA listed |
| Packing group | III |
| Customs code | 29052990 |
| Storage class | 10 - Combustible liquids |
Safety & Regulations
| GHS classification | This chemical does not meet GHS hazard criteria for 97.8% (89 of 91) of all reports.Not ClassifiedAggregated GHS information provided per 91 reports by companies from 2 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatory information | Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.4-Hepten-1-ol, (4Z)-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Not Classified |
| F | 10-23 |
| Personal protective equipment (PPE) | Eyeshields, Gloves |
| Water hazard class (WGK) | 3 |
| TSCA inventory status | TSCA listed |
| UN transport number | 1987 |
| Customs code | 29052990 |
| Risk statements (R) | 10 |
| Signal word | Warning |
| GHS pictogram | GHS02 |
| Safety statements (S) | 16 |
| Storage class | 10 - Combustible liquids |
| Packing group | III |
| GHS hazard statements | H227 |
| GHS precautionary statements | P210-P280-P370+P378-P403+P235-P501-P210e-P280a-P370+P378a-P501a |
Applications & Uses
Uses
cis-4-Hepten-1-ol is used for green topnotes. It is used as a flavoring agent for strawberry, tomato, dry, hay notes of mimosa and tomato vine. It also acts as stabilizers, surfactants and emulsifiers.