(CIS AND TRANS)-NEROLIDOL
3-Hydroxy-3,7,11-trimethyl-1,6,10-dodecatriene
CAS: 7212-44-4
Molecular Formula: C15H26O
(CIS AND TRANS)-NEROLIDOL - Names and Identifiers
| Name | 3-Hydroxy-3,7,11-trimethyl-1,6,10-dodecatriene |
| Synonyms | FEMA 2772 TRANS-NEROLIDOL (CIS AND TRANS)-NEROLIDOL 3,7,11-TRIMETHYL-1,6,10-DODECATRIEN-3-OL 1,6,10-dodecatrien-3-ol,3,7,11-trimethyl- (E)-3,7,11-TRIMETHYL-1,6,10-DODECATRIEN-3-OL TRANS-3,7,11-TRIMETHYL-1,6,10-DODECATRIEN-3-OL 3-Hydroxy-3,7,11-trimethyl-1,6,10-dodecatriene 3-HYDROXY-3,7,11-TRIMETHYL-1,6,10-DODECATRIENE,3,7,11-TRIMETHYL-1,6,10-DODECATRIEN-3-OL |
| CAS | 7212-44-4 |
| EINECS | 230-597-5 |
| InChI | InChI=1/C15H26O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,9,11,16H,1,7-8,10,12H2,2-5H3/t15-/m0/s1 |
(CIS AND TRANS)-NEROLIDOL - Physico-chemical Properties
| Molecular Formula | C15H26O |
| Molar Mass | 222.37 |
| Density | 0.869g/cm3 |
| Melting Point | -75℃ |
| Boling Point | 276°C at 760 mmHg |
| Flash Point | 109.9°C |
| Water Solubility | immiscible |
| Solubility | Slightly soluble in water, soluble in alcohol and oil. |
| Vapor Presure | 0.000616mmHg at 25°C |
| Appearance | Colorless to grass yellow oily liquid |
| Storage Condition | 2-8℃ |
| Refractive Index | 1.479 |
| MDL | MFCD00008911 |
| Physical and Chemical Properties | Density 0.875 melting point -75°C boiling point 114°C (1 mmHg) refractive index 1.478-1.483 flash point 96°C water-soluble immiscible |
| Use | Is an important pharmaceutical intermediates, can be used to synthesize different plant alcohols, can also be used as high-grade spices for cosmetics |
(CIS AND TRANS)-NEROLIDOL - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | R36/37/38 - 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 | UN 3082 9 / PGIII |
| WGK Germany | 2 |
| RTECS | JR4977000 |
| FLUKA BRAND F CODES | 10-23 |
| TSCA | Yes |
| HS Code | 29052290 |
| Toxicity | LD50 orally in Rabbit: > 5000 mg/kg LD50 dermal Rabbit > 5000 mg/kg |
(CIS AND TRANS)-NEROLIDOL - Upstream Downstream Industry
| Raw Materials | Neroli oil Peru balsam Orange sweet oil |
| Downstream Products | FARNESOL Cyclohexene, 1-methyl-4-(5-methyl-1-methylene-4-hexen-1-yl)- 2Z,6Z-Farnesol |
(CIS AND TRANS)-NEROLIDOL - Reference
| Reference Show more | 1. Siyu, Gao Lu, Su Ting, etc. Study on fingerprint of volatile oil from Dalbergia odorifera by HPLC [J]. Asia-Pacific Traditional Medicine, 2016, 12(006):34-36. 2. [IF = 5.279] Zuobing Xiao et al., and Vector Model."J Agr Food Chem. 2019;67(32):8926-8937 3. [IF=1.601] Yi-Xi Feng et al."Sesquiterpenoid-rich Essential Oils from Two Magnolia Plants: Contact and Repellent Activity to Three Stored-product Insects."Journal of Oleo Science. 2022 Mar 02 |
(CIS AND TRANS)-NEROLIDOL - Nature
| Vapor pressure | <1 hPa (20 °C) |
| FEMA | 2772 | NEROLIDOL (ISOMER UNSPECIFIED) |
| refractive index | n20/D 1.479(lit.) |
| flash point | 230 °F |
| storage conditions | Store below +30°C. |
| solubility | 0.014g/l |
| acidity coefficient (pKa) | 14.44±0.29(Predicted) |
| morphology | Liquid |
| color | Clear slightly yellow |
| explosion limit value (explosive limit) | 0.7-4.5%(V) |
| water solubility | immiscible |
| JECFA Number | 1646 |
| Merck | 14,6476 |
| BRN | 1724135 |
| NIST chemical information | 1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-(7212-44-4) |
| EPA chemical information | Nerolidol (7212-44-4) |
Last Update：2024-04-10 22:29:15
(CIS AND TRANS)-NEROLIDOL - Uses and synthesis methods
plant extract
neroli tertiary alcohol and acacia alcohol are isomers, but the positions of hydroxyl-OH are different. neroli tertiary alcohol mainly comes from plants such as neroli tertiary alcohol green melaleuca, ginger, Peruvian balsam, balsam fruit and bean wood, and a small amount is also found in high-grade Roman chamomile essential oil.
Orange Blossoms smell like a mixture of apples and roses, with a slight woody fragrance. Incense orange blossom tertiary alcohol has good calming emotions and the properties of inner stability.
it was found in the experiment that neroli tertiary alcohol has very strong anti-cancer properties. when encountering cancer cells, it can start the cell apoptosis program and let the tumor apoptosis on its own.
content analysis
method a total alcohol content was determined by linalool content analysis method in linalool (03638). The dried acetylated oil was changed to 1.5g and refluxed with 0.5 mol/L potassium hydroxide ethanol solution for 6 h. The total alcohol content x is calculated according to the following formula: X = 100(b-s)× 111.19/W-0.042(b-s) formula B -0.5 mol/L hydrochloric acid volume consumed in blank test, ml;
s-the volume of 0.5 mol/L hydrochloric acid consumed when titrating the sample, ml;
W-sample amount of acetylated oil, mg.
method 2 was determined by non-polar column method by gas chromatography (GT-10-4).
Toxicity
GRAS(FEMA).
use limited
FEMA(mg/kg): soft drink 0.91; Cold drink 0.92; Candy 3.5; Baked food 2.0~8.0.
Moderate limit (FDA & sect;172.515,2000).
chemical properties
colorless to grass yellow syrupy oily liquid. It is fragrant with roses and apples. There are small and dl-two kinds of optical rotation. The boiling point of D-nerolol is 276 ℃, the relative density (d2525) is 0.8816, the optical rotation [α] is 15~30, and the refractive index (nD20) is 1.4795. The boiling point of Dl-nerolol is 98~100 ℃(40 Pa), the relative density (d18) is 0.8788, and the refractive index (nD20) is 1.480l. Soluble in ethanol, propylene glycol, most non-volatile oils and mineral oils, insoluble in glycerol.
Natural products are found in essential oils such as orange flower oil and Peruvian balsam oil.
use
1.GB 2760-1996 is a permitted spice. Mainly used to prepare flavors such as apples, mixed fruits and citrus.
2. It is an important pharmaceutical intermediate, which can synthesize iso-plant alcohol, and can also be used as a high-grade perfume for cosmetics
3. it is fragrant when light, has unusual fresh apple fragrance, can give interesting flower fragrance, has excellent durability, and has certain coordination performance and fragrance fixing effect. Suitable for orange blossom, jasmine, narcissus and other fragrance types. It can also be shared with sandalwood oil, ylang oil, and vanillin. Trace amounts are used in the formula of edible honey, apple, rose and citrus flavor, and can play a coordinating role in fruit and berry flavor.
4. the product is fragrant with rose and apple. GB2760-88 provisions are allowed to use edible spices. Mainly used to prepare flavors such as apples, mixed brocade fruits and citrus.
production method
1. natural products exist in essential oils such as orange flower oil and Peruvian balsam oil. Peruvian balsam oil or neroli oil and sweet orange oil are fractionated under reduced pressure, and 98-102 ℃(5.32 × 10-2kPa) fractions are collected to obtain the products.
2. Peruvian balsam oil or neroli oil and sweet orange oil are prepared by vacuum fractionation method, and the fraction at 98~102 ℃[53Pa(0.4 mmHg)] is taken.
Last Update：2024-04-10 22:29:15
(CIS AND TRANS)-NEROLIDOL - Security information
| WGK Germany | 2 |
| RTECS number | JR4977000 |
| F | 10-23 |
| auto-ignition temperature | 230 °C |
| TSCA | Yes |
| customs code | 29052290 |
| Toxicity | LD50 orally in Rabbit: > 5000 mg/kg LD50 dermal Rabbit > 5000 mg/kg |
Last Update：2024-04-10 22:29:15
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Raw Materials for (CIS AND TRANS)-NEROLIDOL
Downstream Products for (CIS AND TRANS)-NEROLIDOL