| Identification | More | [Name]
NEROL | [CAS]
106-25-2 | [Synonyms]
2,6-DIMETHYL-2,6-OCTADIEN-8-OL
2, 6-DIMETHYL-CIS-2, 6-OCTADIEN-8-OL
2,6-OCTADIEN-1-OL, 3,7-DIMETHYL
3, 7-DIMETHYL-CIS-2, 6-OCTADIEN-1-OL
CIS-3,7-DIMETHYL-2,6-OCTADIEN-1-OL
CIS-GERANIOL
FEMA 2770
NEROL
NEROL 70
NEROL BJ
NEROLEX
NERYL ALCOHOL
(Z)-3,7-DIMETHYL-2,6-OCTADIEN-1-OL
(2Z)-3,7-Dimethyl-2,6-octadien-1-ol
(Z)-geraniol
2,6-Octadien-1-ol,3,7-dimethyl-,(Z)-
2-cis-3,7-Dimethyl-2,6-octadien-1-ol
3,7-dimethyl-octa-2cis,6-dien-1-ol
6-Octadien-1-ol,3,7-dimethyl-,(Z)-2
7-dimethyl-6-octadien-1-o(z)-3 | [EINECS(EC#)]
203-378-7 | [Molecular Formula]
C10H18O | [MDL Number]
MFCD00063204 | [Molecular Weight]
154.25 | [MOL File]
106-25-2.mol |
| Chemical Properties | Back Directory | [Appearance]
Clear colorless to almost colorless liquid | [Melting point ]
<-15 °C | [Boiling point ]
103-105 °C/9 mmHg (lit.) | [density ]
0.876 g/mL at 25 °C(lit.)
| [vapor pressure ]
2.39Pa at 20℃ | [FEMA ]
2770 | [refractive index ]
n20/D 1.474(lit.)
| [Fp ]
226 °F
| [storage temp. ]
2-8°C | [solubility ]
absolute ethanol: soluble(lit.) | [form ]
Liquid | [pka]
14.45±0.10(Predicted) | [color ]
Clear colorless to almost colorless | [Odor]
at 100.00 %. sweet natural neroli citrus magnolia | [biological source]
synthetic | [Odor Type]
floral | [Water Solubility ]
1.311g/L(25 ºC) | [JECFA Number]
1224 | [Merck ]
14,6475 | [BRN ]
1722455 | [Henry's Law Constant]
8.6×10-1 mol/(m3Pa) at 25℃, Duchowicz et al. (2020) | [InChI]
1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7- | [InChIKey]
GLZPCOQZEFWAFX-YFHOEESVSA-N | [SMILES]
C\C(C)=C\CC\C(C)=C/CO | [LogP]
2.76 at 30℃ | [Uses]
Nerol is a flavoring agent that is a colorless liquid with an odor resem-
bling fresh, sweet roses and contains geranoils and other terpenic
alcohols. it is miscible in alcohol, chloroform, and ether insoluble
in water. it is obtained by synthesis. it is also termed cis-3,7-dime-
thyl-2,6-octadien-1-ol. | [CAS DataBase Reference]
106-25-2(CAS DataBase Reference) | [EPA Substance Registry System]
2,6-Octadien-1-ol, 3,7-dimethyl-, (2Z)- (106-25-2) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H315-H317-H319 | [Precautionary statements ]
P261-P264-P272-P280-P302+P352-P305+P351+P338 | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing . | [RIDADR ]
UN1230 - class 3 - PG 2 - Methanol, solution | [WGK Germany ]
2
| [RTECS ]
RG5840000
| [TSCA ]
Yes | [REACH Registrations]
Active | [HS Code ]
29052210 | [Storage Class]
10 - Combustible liquids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
Skin Sens. 1B | [Safety Profile]
Moderately toxic by
intramuscular route. Mildly toxic by
ingestion. A skin irritant. When heated to
decomposition it emits acrid smoke and
irritating fumes. | [Hazardous Substances Data]
106-25-2(Hazardous Substances Data) |
| Questions And Answer | Back Directory | [Identification test]
Determination of total alcohol (OT-5). The amount of sample taken is 1.2g; the equivalent factor (e) in the calculation is 77.13. | [Chemical properties]
Colorless oily liquid It bears a sweet smell similar to the fresh rose, better than geraniol, and with hints of lemon flavor. The boiling point is 227 ℃; flash point is 92 ℃; optical rotation is [α] D ± 0 °. Miscible in ethanol, chloroform and ether; nearly insoluble in water.
It is the isomer of geraniol (trans; geraniol is cis).
Natural lanolin and its esters are found in orange leaf oil, rose oil, lavender oil, Sri Lanka citronella oil, bitter orange blossom oil and bergamot, lemon, white lemon, grapefruit, sweet orange and so on. | [Uses]
The food flavors are mainly for the preparation of raspberry, strawberry and citrus fruit flavors and preparation of orange blossom, rose, magnolia main spices. It is a spice commonly used in jasmine, white flowers, lilac, lily of the valley, narcissus, carnation, mimosa, violet, vanilla, cymbidium, tuberose and citrus cologne. It is also commonly used in hyacinth, gardenia, osmanthus, acacia flavor formula. In the food flavor, its raspberry-strawberry flavor effect is commonly used. The product is also used in the preparation of daily makeup fragrance, such as violet, orange blossom, jasmine, lily of the valley, magnolia, cloves and other fragrance type makeup fragrance. It is widely used in orange blossom, rose, jasmine, tuberose and other fragrances of fragrant type and food flavor of raspberry, strawberry. It can also be used to produce ester spices. | [Preparation]
1. Oil of petitgrain is used as raw material; the first step is eliminating linalool and terpenes through fractionation; through saponification the fraction containing primary alcohol will be made into phthalate esters; and then going through purification and alkali saponification, geraniol (60 %) and nerol (40%) mixture is derived; removing geraniol with lead chloride, undergoing the residue vacuum distillation or steam distillation, the product was derived.
2. Let the geraniol and hydroiodic acid reacted in the neutral solution. Removing excess hydrogen iodide with alkali, the nerol mixed with geraniol can be derived, and then separate the mixture using the above method.
3. Heat the mixture of the same amount of camphor and acetic anhydride to boiling in the presence of sodium acetate. The mixture of geraniol and neryl alcohol can be derived through saponified esterification, and then separate the mixture by the former method.
4. Reducing citral in the isopropanol solution containing isopropanol aluminium also can obtain the mixture of geraniol and nerol, and nerol is derived through re-separation. | [Toxicity]
GRAS (FEMA).
LD504500 mg/kg (rat, oral).
maximum level FEMA (mg/kg): soft drink 1.4; cold drink 3.9; candy 16; baked food 19; pudding 1.0 to 1.3;
utilization limitation (FDA $ 172. 515, 2000). |
| Hazard Information | Back Directory | [Description]
Nerol has a fresh, sweet, rose-like odor and a bitter flavor. Nerol may be synthesized from pinene. | [Occurrence]
Reported found in neroli oil (with geraniol) and in the essential oils of lemongrass, Ceylon citronella, ylangylang, champaca, Cayenne Bois de Rose and bergamot; also in lemon, sweet orange and petitgrain bergamot; in clary sage, lavandin,
lavender, Mexican linaloe, myrrh, jasmine, Paraguay petitgrain; also reported among the volatile constituents of currant aroma;
Helicrysum angustifolium contains up to 30 to 50% nerol. Also reported found in citrus peel oils and juices, apricot, cranberry,
blueberry, currant, grapes, papaya, raspberry, blackberry, strawberry, potato, tomato, cinnamon, ginger, mentha oils, mustard, nutmeg, thyme, hop oil, beer, gin, cognac, brandy, grape wines, tea, honey, Arctic bramble, passion fruit, prune, Japanese plum, rose
apple, marjoram, mango, tamarind, cardamom, coriander seed and leaf, tarragon, litchi, licorice, buckwheat, laurel, wort, elderberry,
cherimoya, myrtle leaf and berry, buchu oil, Bourbon vanilla, lemon balm, clary sage, loganberry, maté, German chamomile oil and
mastic gum leaf oil. | [Definition]
ChEBI: The (2Z)-stereoisomer of 3,7-dimethylocta-2,6-dien-1-ol. It has been isolated from the essential oils from plants like lemon grass. | [Aroma threshold values]
Detection: 680 ppb to 2.2 ppm; aroma characteristics at 2%: rosy, slightly citrus, terpy and floral, reminiscent of linalool oxide with aldehydic waxy and fruity nuances | [Taste threshold values]
Taste characteristics at 10 ppm in 5% sugar and 0.1% CA: rosy with citrus nuances, fruity pear with floral
citronellal notes | [Synthesis Reference(s)]
Tetrahedron, 40, p. 641, 1984 DOI: 10.1016/S0040-4020(01)91092-0
Tetrahedron Letters, 33, p. 5417, 1992 DOI: 10.1016/S0040-4039(00)79109-X
Synthesis, p. 328, 1988 DOI: 10.1055/s-1988-27559 | [General Description]
The antifungal efficacy of nerol (cis-3,7-Dimethyl-2,6-octadien-1-ol), against Aspergillus flavus, was studied. |
|
| Company Name: |
J & K SCIENTIFIC LTD.
|
| Telephone: |
18210857532 18210857532 |
| Website: |
https://www.jkchemical.com |
| Company Name: |
Alfa Aesar
|
| Telephone: |
400-6106006 |
| Website: |
http://chemicals.thermofisher.cn |
| Company Name: |
Energy Chemical
|
| Telephone: |
400-0056266 |
| Website: |
www.energy-chemical.com |
| Company Name: |
jiliang chemicals
|
| Telephone: |
21-62165282 |
| Website: |
http://www.jiliangchem.com |
| Company Name: |
Maya High Purity Chemicals
|
| Telephone: |
+86 (573) 82222445 (0)18006601000 452520369 |
| Website: |
www.chemicalbook.com/ShowSupplierProductsList15221/0_EN.htm |
| Company Name: |
Spectrum Chemical Manufacturing Corp.
|
| Telephone: |
021-021-021-67601398-809-809-809 15221380277 |
| Website: |
www.spectrumchemical.com/oa_html/index.jsp?minisite=10020&respid=22372&language=us |
|