1-Heptanol
- CAS No.
- 111-70-6
- Chemical Name:
- 1-Heptanol
- Synonyms
- HEPTANOL;N-HEPTANOL;HEPTAN-1-OL;HEPTYL ALCOHOL;Enanthol;1-HeptanoI;ALCOHOL C7;n-Heptan-1-ol;Gentanol;n-C7H15OH
- CBNumber:
- CB0342528
- Molecular Formula:
- C7H16O
- Molecular Weight:
- 116.2
- MOL File:
- 111-70-6.mol
- MSDS File:
- SDS
- Modify Date:
- 2026/4/10 10:27:01
| Melting point | -36 °C (lit.) |
|---|---|
| Boiling point | 176 °C (lit.) |
| Density | 0.822 g/mL at 25 °C (lit.) |
| vapor pressure | 0.5 mm Hg ( 20 °C) |
| refractive index |
n |
| FEMA | 2548 | HEPTYL ALCOHOL |
| Flash point | 165 °F |
| storage temp. | Store below +30°C. |
| solubility | 1g/l |
| form | Liquid |
| pka | 15.38±0.10(Predicted) |
| color | Clear |
| Relative polarity | 0.549 |
| Odor | Weak alcoholic. |
| Odor Threshold | 0.0048ppm |
| explosive limit | 0.9%(V) |
| Odor Type | green |
| biological source | synthetic |
| Water Solubility | 2.85 g/L (100 ºC) |
| Thermal Conductivity | 0.164 W/(m·K) at 25 ℃ |
| JECFA Number | 94 |
| Merck | 14,4661 |
| BRN | 1731686 |
| Henry's Law Constant | 5.3×10-1 mol/(m3Pa) at 25℃, Brockbank (2013) |
| Dielectric constant | 6.7（21℃） |
| Stability | Stable. Flammable. Incompatible with strong acids, strong oxidizing agents. |
| Major Application |
cleaning products cosmetics environmental flavors and fragrances food and beverages personal care |
| Cosmetics Ingredients Functions | PERFUMING |
| InChI | 1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3 |
| InChIKey | BBMCTIGTTCKYKF-UHFFFAOYSA-N |
| SMILES | CCCCCCCO |
| LogP | 2.2 at 20℃ |
| Surface tension | 26.47mN/m at 298.15K |
| CAS DataBase Reference | 111-70-6(CAS DataBase Reference) |
| NIST Chemistry Reference | 1-Heptanol(111-70-6) |
| EPA Substance Registry System | 1-Heptanol (111-70-6) |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS07 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Warning | |||||||||
| Hazard statements | H319 | |||||||||
| Precautionary statements | P264-P280-P305+P351+P338-P337+P313 | |||||||||
| PPE | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter | |||||||||
| Hazard Codes | Xn,Xi | |||||||||
| Risk Statements | 20/21/22-36-52 | |||||||||
| Safety Statements | 36-36/37/39-26 | |||||||||
| RIDADR | 2810 | |||||||||
| WGK Germany | 1 | |||||||||
| RTECS | MK0350000 | |||||||||
| Autoignition Temperature | 662 °F | |||||||||
| TSCA | TSCA listed | |||||||||
| HazardClass | 6.1(b) | |||||||||
| PackingGroup | III | |||||||||
| HS Code | 29051900 | |||||||||
| Storage Class | 10 - Combustible liquids | |||||||||
| Hazard Classifications | Aquatic Chronic 3 Eye Irrit. 2 |
|||||||||
| Hazardous Substances Data | 111-70-6(Hazardous Substances Data) | |||||||||
| Toxicity | LD50 orally in Rabbit: 500 mg/kg LD50 dermal Rabbit 2000 mg/kg | |||||||||
| Excepted Quantities | Non-Hazardous | |||||||||
| NFPA 704 |
|
1-Heptanol price More Price(23)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich(India) | W254820 | Heptyl alcohol natural, 98% | 111-70-6 | 1SAMPLE-K | ₹5347.55 | 2022-06-14 | Buy |
| Sigma-Aldrich(India) | W254820 | Heptyl alcohol natural, 98% | 111-70-6 | 1KG | ₹20037.08 | 2022-06-14 | Buy |
| Sigma-Aldrich(India) | W254820 | Heptyl alcohol natural, 98% | 111-70-6 | 5KG | ₹92174.88 | 2022-06-14 | Buy |
| Sigma-Aldrich(India) | W254820 | Heptyl alcohol natural, 98% | 111-70-6 | 25KG | ₹327900.08 | 2022-06-14 | Buy |
| Sigma-Aldrich(India) | W254800 | Heptyl alcohol ≥97%, FCC, FG | 111-70-6 | 1SAMPLE-K | ₹5141.88 | 2022-06-14 | Buy |
1-Heptanol Chemical Properties,Uses,Production
Description
Heptyl alcohol has a faint, aromatic, fatty odor and a pungent, spicy taste. It may be synthesized by reduction of enanthic aldehyde, which is a distillation product of castor oil.
Occurrence
Reported found in a few essential oils, hyacinth, violet leaves, Litsea zeylanica Also reported found in apple, banana, citrus peel oils, orange juice, bilberry, cranberry, blueberry, other berries, currants, melon, papaya, peach, pear, pineapple, asparagus, peas, potato, mustard, cheeses, butter, milk, meats, hop oil, beer, cognac, rum, bourbon whiskey, grape wines, cocoa, tea, flberts, pecans, peanuts, soybeans, passion fruit juice, olive, macadamia nuts, mango, tamarind, fgs, cardamom, rice, calamus, dill, corn, malt, kiwifruit, truffe, nectarine, crab, crayfsh, clams and other sources
Preparation
By reduction of enanthic aldehyde, which is a distillation product of castor oil.
Production Methods
1-Heptanol is produced by reacting hexenes with carbon monoxide in the oxo process or by the catalytic reduction of heptaldehyde. It has little commercial value except in fragrances and as an artificial flavoring agent.
Reactivity Profile
Heptan-1-ol is an alcohol. Flammable and/or toxic gases are generated by the combination of alcohols with alkali metals, nitrides, and strong reducing agents. They react with oxoacids and carboxylic acids to form esters plus water. Oxidizing agents convert them to aldehydes or ketones. Alcohols exhibit both weak acid and weak base behavior. They may initiate the polymerization of isocyanates and epoxides.
Health Hazard
1-Heptanol is low toxicity; liquid may irritate eyes.
Purification Methods
Shake the alcohol with successive lots of alkaline KMnO4 until the colour persists for 15minutes, then dry it with K2CO3 or CaO, and fractionally distil it. [Beilstein 1 IV 1731.]
1-Heptanol Preparation Products And Raw materials
Raw materials
Preparation Products
1of4
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|---|---|---|---|---|---|
| Nagar Haveli Perfumes & Aromatics | +917506551149 | Mumbai, India | 230 | 58 | Inquiry |
| Acme Synthetic Chemicals | +91-2226762959 +91-9833260962 | Maharashtra, India | 31 | 58 | Inquiry |
| Jayant Oil Mills | (022) 373 8810/11/12/13 | New Delhi, India | 15 | 51 | Inquiry |
| Medilink Pharmachem | +91 (79) 3007-0133 | New Delhi, India | 424 | 50 | Inquiry |
| CLEARSYNTH LABS LTD. | +91-22-45045900 | Hyderabad, India | 6257 | 58 | Inquiry |
| TCI Chemicals (India) Pvt. Ltd. | 1800 425 7889 | New Delhi, India | 6768 | 58 | Inquiry |
| Otto Chemie Pvt. Ltd. | +91 9820041841 | Mumbai, India | 5870 | 58 | Inquiry |
| Sisco Research Laboratories Pvt. Ltd. | +91-22-4268 5800 | Mumbai, India | 4315 | 58 | Inquiry |
| Central Drug House(P) Ltd. | 91-11-49404040 | New Delhi, India | 6157 | 58 | Inquiry |
| Triveni chemicals | 08048762458 | New Delhi, India | 6088 | 58 | Inquiry |
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- 1-Heptanol is a colorless oily liquid. 0.2% soluble in water, soluble in alcohol, miscible with oils. Sp.Gr. 0.82. B.P. 175°C.
- Nov 13，2024