106-25-2
Nerol
CAS: 106-25-2
Molecular Formula: C10H18O
106-25-2 - Names and Identifiers
| Name | Nerol |
| Synonyms | Nerol NEROL PRIME cis-Geraniol NEROL, NATURAL NEROL EXTRA LG FCC (Z)-3,7-dimethylocta-2,6-dien-1-ol (2Z)-3,7-dimethylocta-2,6-dien-1-ol (3Z)-3,7-Dimethyl-2,6-octadiene-1-ol Nerol,cis-3,7-Dimethyl-2,6-octadien-1-ol cis-3,7-Dimethyl-2,6-octadien-1-ol, Nerol cis-3,7-Dimethyl-2,6-octadien-1-ol,cis-3,7-Dimethyl-2,6-octadien-1-ol, Nerol |
| CAS | 106-25-2 |
| EINECS | 203-378-7 |
| InChI | InChI=1/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7- |
106-25-2 - Physico-chemical Properties
| Molecular Formula | C10H18O |
| Molar Mass | 154.25 |
| Density | 0.876 g/mL at 25 °C (lit.) |
| Boling Point | 103-105 °C/9 mmHg (lit.) |
| Flash Point | 226°F |
| JECFA Number | 1224 |
| Water Solubility | 1.311g/L(25 ºC) |
| Solubility | Soluble in ethanol, chloroform, ether and other organic solvents, insoluble in water. |
| Vapor Presure | 2.39Pa at 20℃ |
| Appearance | Colorless oily liquid |
| Color | Clear colorless to almost colorless |
| Merck | 14,6475 |
| BRN | 1722455 |
| pKa | 14.45±0.10(Predicted) |
| Storage Condition | 2-8°C |
| Refractive Index | n20/D 1.474(lit.) |
| MDL | MFCD00063204 |
| Physical and Chemical Properties | Colorless oily liquid. There is similar to the sweet flavor of fresh rose, more than geraniol, micro-strip lemon fragrance. Boiling point of 227 deg C, flash point of 92 deg C, optical rotation [alpha] D +0 degrees. Miscible in ethanol, chloroform and ether, a few insoluble in water. It is the isomer of geraniol (trans, Geraniol is CIS). Natural nerol and its esters are found in orange leaf oil, rose oil, lavender oil, Sri Lanka citronella oil, orange flower oil and bergamot, lemon, lime, grapefruit, sweet orange, etc. |
| Use | Widely used in orange flower, rose, jasmine, tuberose and other flower-type Daily flavor and raspberry, straw mold flavor of food flavor, can also be made into Ester flavor |
106-25-2 - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. |
| UN IDs | UN1230 - class 3 - PG 2 - Methanol, solution |
| WGK Germany | 2 |
| RTECS | RG5840000 |
| TSCA | Yes |
| HS Code | 29052210 |
| Toxicity | The acute oral LD50 value in rats was reported as 4.5 g/kg (3.4-5.6 g/kg) (Moreno, 1972). The acute dermal LD50 value in rabbits exceeded 5 g/kg (Moreno, 1972). |
106-25-2 - Reference
| Reference Show more | 1. Wen Zhirui, Zhang Liang, Wang Jiao, et al. Determination of 14 Active Components in Rose Essential Oil by One Test and Multiple Evaluation Method [J]. Guizhou Science 2019(4):34-39. |
106-25-2 - Nature
Open Data Verified Data
for colorless oily liquid, there are similar to the rose aroma, micro lemon fragrance. Molecular weight 154. Soluble in ethanol, chloroform, ether and other organic solvents, insoluble in water, boiling point of 227 ℃. Natural nerol and its esters are found in natural essential oils such as orange leaf oil, rose oil, lavender oil and Sri Lanka citronella oil, and in fruits such as lemon, lime, grapefruit and sweet orange.
Last Update：2024-01-02 23:10:35
106-25-2 - Preparation Method
Open Data Verified Data
The preparation method of nerol mainly adopts the separation method of natural essential oil.
Last Update：2022-01-01 11:14:25
106-25-2 - Use
Open Data Verified Data
mainly used for the preparation of fruit flavor and flower flavor.
Last Update：2022-01-01 11:14:25
106-25-2 - Reference Information
| FEMA | 2770 | NEROL |
| LogP | 2.76 at 30℃ |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| introduction | nerol is a terpene alcohol. The trans isomer of geraniol. Colorless liquid. It has aromas of roses and orange blossoms, softer and more graceful than geranieres. Density 0.877-0.891. The melting point is lower than -1.5 ℃. Boiling point 226-227 ℃. 1.462 refractive index. Existed in neroli oil, rose oil, etc. |
| Source | Naturally present in neroli oil, rose oil, etc., it can also be made by the action of geraniol and hydroiodic acid. Nererol and geraniol are isomers. Any essential oil containing geraniol often contains nerol at the same time, but the ratio is different. The proportions of nerol and geraniol in nerol produced by different companies are different, so the aroma is also different. |
| identification test | measured by total alcohol content determination method (OT-5). The sample quantity taken is 1.2g; The equivalent factor (e) in the calculation is 77.13. |
| toxicity | GRAS(FEMA). LD504500 mg/kg (rat, oral). |
| usage limit | FEMA(mg/kg): soft drink 1.4; Cold drink 3.9; Candy 16; Baked food 19; Pudding 1.0~1.3; Gum candy 0.80. Moderate limit (FDA § 172.515,2000). |
| use | GB 2760-1996 stipulates that edible spices are allowed to be used. Mainly used to prepare fruit flavors such as raspberry, strawberry and citrus. It is the main spice for preparing orange blossom, rose and magnolia essence. It is a commonly used spice in jasmine, white flower, lilac, lilac, narcissus, carnation, shame flower, violet flower, fragrant roland, grass orchid, tuberose and citrus cologne. It is also commonly used in flavors such as hyacinth, gardenia, osmanthus, and acacia. The effect of Rubus-strawberry flavor is commonly used in edible flavors. this product is a edible spice allowed in China's GB2760-86 regulations. Mainly used to prepare fruit flavors such as strawberries, raspberries and citrus. The product is also used to prepare daily cosmetic flavors, such as violet, orange blossom, jasmine, lily of the valley, magnolia, clove and other floral cosmetic flavors. widely used in orange blossom, rose, jasmine, tuberose and other floral daily chemical essence and raspberry, grass mold flavor edible essence, can also be made into ester spices |
| production method | 1. orange leaf oil is used as raw material, linalool and terpenoids are first fractionated, and the fraction containing primary alcohol is saponified to form phthalates, and then purified and alkali saponified to obtain a mixture of geraniol (60%) and nerol (40%). after removing geraniol with lead chloride, the residual liquid is distilled in vacuum or steam to obtain the finished product. 2. In a neutral solution, geraniol reacts with hydroiodic acid, removes excess hydroiodic acid with alkali, and nerol mixed with geraniol can be obtained, and then separated according to the above method. 3. Use the same amount of aromatic camphor and acetic anhydride to boil in the presence of sodium acetate. After saponification, a mixture of geraniol and nerol can be obtained, and then separated by the previous method. 4. In the isopropanol solution containing aluminum isopropoxide, citral can be reduced to obtain a mixture of geraniol and nerol, and then separated. Using orange leaf oil as raw material, first fractionate to remove linalool and terpenoids, saponification of the fraction containing primary alcohol to phthalate, and then purification and alkali saponification To obtain a mixture of geraniol (60%) and nerol (40%), after removing geraniol with lead chloride, the residual liquid is vacuum distilled or steam distilled to obtain the finished product. In a neutral solution, let geraniol interact with hydroiodic acid, and use alkali to remove excess hydroiodic acid to obtain nerol mixed with geraniol, and then separate as above. The same amount of linalool and acetic anhydride are heated to boiling in the presence of sodium acetate. After saponification, a mixture of geraniol and nerol can be obtained, and then separated by 1. method. In the isopropanol solution containing aluminum isopropoxide, citral can be reduced to obtain a mixture of geraniol and nerol, and then rectified and separated. |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 21:32:03
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