| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 40716-66-3 |
| ECHA EC Number: | 255-053-4 |
| FDA UNII: | FG5V0N8P2H |
| CoE Number: | 67 |
| Category: | flavor and fragrance agents |
| IUPAC Name: | (E)-nerolidol |
| 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/b14-11+ |
| Std.InChI: | InChI=1S/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/b14-11+ |
| InChIKey : | FQTLCLSUCSAZDY-SDNWHVSQBS |
| Std.InChIKey: | FQTLCLSUCSAZDY-SDNWHVSQSA-N |
| SMILES : | CC(=CCC/C(=C/CCC(C)(C=C)O)/C)C |
| MDL: | MFCD00008911 |
| Molar Refractivity : | 72.56 ± 0.3 cm3 (est) |
| Parachor : | 596.5 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.479 ± 0.02 (est) |
| Surface Tension : | 29.6 ± 3.0 dyne/cm (est) |
| Density : | 0.869 ± 0.06 g/cm3 (est) |
| Polarizability : | 28.76 ± 0.5 10-24cm3 (est) |
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 85.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.87600 @ 25.00 °C. |
| Refractive Index: | 1.47900 @ 20.00 °C. |
| Boiling Point: | 145.00 to 146.00 °C. @ 12.00 mm Hg |
| Boiling Point: | 276.00 to 277.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.001000 mmHg @ 25.00 °C. (est) |
| Flash Point: | > 230.00 °F. TCC ( > 110.00 °C. ) |
| logP (o/w): | 5.316 (est) |
| Soluble in: | |
| alcohol | |
| water, 1.532 mg/L @ 25 °C (est) | |
| CosIng: | cosmetic data |
| Cosmetic Uses: | perfuming agents |
| BOC Sciences |
| For experimental / research use only. |
| (E)-Nerolidol |
| Coompo |
| For experimental / research use only. |
| Nerolidol from Plants ≥96% |
| ExtraSynthese |
| For experimental / research use only. |
| trans-Nerolidol (GC) ≥90% |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| trans-Nerolidol ≥85% |
| Sigma-Aldrich |
| For experimental / research use only. |
| trans-Nerolidol analytical standard |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 36/38 - Irritating to skin and eyes. R 50/53 - Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. S 24 - Avoid contact with skin. S 25 - Avoid contact with eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 61 - Avoid release to the environment. Refer to special instructions/safety data sheet. | |
| Hazards identification | |
| Classification of the substance or mixture | |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
| None found. | |
| GHS Label elements, including precautionary statements | |
| Pictogram | |
| Hazard statement(s) | |
| None found. | |
| Precautionary statement(s) | |
| None found. | |
| Oral/Parenteral Toxicity: | |
| Not determined | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
| Category: | |||
| flavor and fragrance agents | |||
| RIFM Fragrance Material Safety Assessment: Search | |||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| Recommendation for (E)-nerolidol usage levels up to: | |||
| 10.0000 % in the fragrance concentrate. | |||
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :5284507 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:1 |
| (6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol |
| Chemidplus:0040716663 |
| Leffingwell: | Chirality or Article |
| (6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 5284507 |
| Pubchem (sid): | 134973228 |
| Flavornet: | 40716-66-3 |
| Pherobase: | View |
| (IUPAC): | Atomic Weights of the Elements 2011 (pdf) |
| Videos: | The Periodic Table of Videos |
| tgsc: | Atomic Weights use for this web site |
| (IUPAC): | Periodic Table of the Elements |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | Search |
| FooDB: | FDB021836 |
| Export Tariff Code: | 2905.22.5050 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
| FR | acacia |
| FR | apple |
| FR | balsam |
| FR | blueberry |
| FR | cabreuva wood |
| FR | clary sage oil replacer |
| FR | cologne |
| FR | currant |
| FR | cyclamen |
| fixer | |
| FR | grape |
| FR | grapefruit |
| FR | honeysuckle |
| FR | jasmin |
| FR | leather |
| FR | lilac |
| FR | lily |
| FR | lily of the valley |
| FR | melon |
| FR | neroli |
| FR | orange |
| FR | orange blossom |
| FR | peach |
| FR | pear |
| FR | peru balsam |
| FR | petitgrain |
| FR | raspberry |
| FR | rose |
| FR | spring rain |
| FR | strawberry |
| FR | tea green tea |
| FR | tolu balsam |
| FR | violet |
| FR | woody |
| FR | ylang ylang |
| allamanda cathartica linn. flower oil brazil @ 0.10% Data GC Search Trop Picture | |
| ambrette seed concrete @ 0.22% Data GC Search Trop Picture | |
| amyris wood oil @ 0.50% Data GC Search Trop Picture | |
| artemisia campestris spp. glutinosa flower oil italy @ 0.80% Data GC Search Trop Picture | |
| artemisia variabilis flower oil italy @ 0.30% Data GC Search Trop Picture | |
| ayou wood oil @ 6.50% Data GC Search Trop Picture | |
| bergamot oil @ 0.007-0.036% Data GC Search Trop Picture | |
| blood orange oil (citrus sinensis l. var. sanguinello) italy @ 0.004% Data GC Search Trop Picture | |
| blood orange oil (citrus sinensis l. var. tarocco) italy @ 0.004% Data GC Search Trop Picture | |
| blood orange oil italy @ 0.006% Data GC Search Trop Picture | |
| cedrela wood oil @ 8.00% Data GC Search Trop Picture | |
| champaca concrete @ 0.40% Data GC Search Trop Picture | |
| cinnamomum fragrans baillon leaf oil madagascar @ 0.40% Data GC Search Trop Picture | |
| cinnamomum fragrans baillon leaf oil madagascar @ 0.70% Data GC Search Trop Picture | |
| cistus oil @ 0.2% Data GC Search Trop Picture | |
| couroupita guianensis aubl. flower oil brazil @ 0.20% Data GC Search Trop Picture | |
| croton cajucara benth. leaf oil brazil @ 12.60% Data GC Search Trop Picture | |
| croton flavens l. (welensali) leaf oil curacao @ 0.40% Data GC Search Trop Picture | |
| cubeb oil @ 1.45% Data GC Search Trop Picture | |
| curry fruit oil india @ 0.10% Data GC Search Trop Picture | |
| curry leaf oil india @ 0.30% Data GC Search Trop Picture | |
| eschweilera coriacea (a. p. dc.) mori flower oil brazil @ 0.20% Data GC Search Trop Picture | |
| fleabane oil @ 0.30% Data GC Search Trop Picture | |
| genet absolute @ 0.50% Data GC Search Trop Picture | |
| ginger rhizome oil Search Trop Picture | |
| grapefruit oil c.p. @ 0.02% Data GC Search Trop Picture | |
| grapefruit oil CO2 extract @ 0.15% Data GC Search Trop Picture | |
| guava leaf oil cuba @ 19.20% Data GC Search Trop Picture | |
| hyssop flower Search Trop Picture | |
| hyssop plant Search Trop Picture | |
| jambu flower oil brazil @ 0.90% Data GC Search Trop Picture | |
| kewda oil @ trace% Data GC Search Trop Picture | |
| laurel leaf oil turkey @ 0.10% Data GC Search Trop Picture | |
| lavender oil france @ 0.08% Data GC Search Trop Picture | |
| layana oil kenya @ trace% Data GC Search Trop Picture | |
| lime oil distilled mexico @ 0.01% Data GC Search Trop Picture | |
| lime oil expressed florida @ trace% Data GC Search Trop Picture | |
| mandarin oil uruguay @ trace% Data GC Search Trop Picture | |
| mangrove bark red oil cuba @ 0.40% Data GC Search Trop Picture | |
| manuka var. eximium oil australia @ 0.40% Data GC Search Trop Picture | |
| manuka var. scoparium oil new zealand @ 0.24% Data GC Search Trop Picture | |
| microstrobos fitzgeraldii leaf oil australia @ 0.40% Data GC Search Trop Picture | |
| mikania cordata (burm. f.) b.l. robinson var. cordata leaf oil france @ 0.70% Data GC Search Trop Picture | |
| myrrhinium atropurpureum schott leaf oil brazil @ 2.50% Data GC Search Trop Picture | |
| myrtle lemon scented leaf oil australia @ 0.60% Data GC Search Trop Picture | |
| nepeta betonicifolia c.a. meyer oil turkey @ 0.10% Data GC Search Trop Picture | |
| nepeta racemosa lam. oil iran @ 8.80% Data GC Search Trop Picture | |
| neroli bigarde oil france @ 1.09% Data GC Search Trop Picture | |
| neroli oil CO2 extract @ 1.21% Data GC Search Trop Picture | |
| orange peel oil bitter italy @ 0.07% Data GC Search Trop Picture | |
| orange peel oil sweet c.p. blond italy @ 0.004% Data GC Search Trop Picture | |
| orange peel oil sweet c.p. blond italy @ 0.004% Data GC Search Trop Picture | |
| orange peel oil sweet c.p. blond italy @ 0.004% Data GC Search Trop Picture | |
| 1,6,10- | dodecatrien-3-ol, 3,7,11-trimethyl-, (6E)- |
| 1,6,10- | dodecatrien-3-ol, 3,7,11-trimethyl-, (E)- |
| (±)-trans- | nerolidol |
| (6E)- | nerolidol |
| trans- | nerolidol |
| nerolidol (E) | |
| nerolidol trans-form | |
| trans-3,7,11- | trimethyl dodeca-1,6,10-trien-3-ol |
| trans- | trimethyl dodecatrien-3-ol |
| (6E)-3,7,11- | trimethyl-1,6,10-dodecatrien-3-ol |
| (E)-3,7,11- | trimethyl-1,6,10-dodecatrien-3-ol |
| trans-3,7,11- | trimethyl-1,6,10-dodecatrien-3-ol |
| (E)-3,7,11- | trimethyl-dodeca-1,6,10-trien-3-ol |
| (6E)-3,7,11- | trimethyldodeca-1,6,10-trien-3-ol |
| (E)-3,7,11- | trimethyldodeca-1,6,10-trien-3-ol |
