Nerolidol
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Grundinformationen
- CAS
142-50-7- Standard-SMILES
C=CC(C)(O)CC/C=C(\C)CCC=C(C)C- InChIKey
FQTLCLSUCSAZDY-SDNWHVSQSA-N- Summenformel
- C15H26O
- Durchschnittliche Molmasse
- 222,37 g/mol
- Monoisotopische Masse
- 222,19836545
Namen und Bezeichner
- Bevorzugter Name
- Nerolidol
- IUPAC
- (6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol
- Lokaler Name
- Nerolidol
- Englischer Name
- CIS-NEROLIDOL
- Summenformel
- C15H26O
- Molmasse
- 222.37
Namen und Synonyme
NEROLIDOL7212-44-4(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol3,7,11-Trimethyl-1,6,10-dodecatrien-3-olStirrupFEMA No. 27723-Hydroxy-3,7,11-trimethyl-1,6,10-dodecatrieneCHEBI:7524DTXCID602247QR6IP857S6(Z)-NerolidolDTXSID3022247
Weitere Namen anzeigen
MelaleucolPeruviolD-nerolidol(+)-nerolidolCIS-NEROLIDOLNEROLIDOL, CIS-(S)-cis-nerolidol(+)-cis-Nerolidol3,7,11-Trimethy-1,6,10-dodecatrien-3-ol
nerodilolFCI-119BRefChem:832382205-540-2230-597-589V5Z0JC8Jtrans-Nerolidol40716-66-3
Datenbank-Bezeichner
- CAS
142-50-7、40716-66-3、7212-44-4- PubChem CID
- 5284507
- DTXSID
DTXSID2040783- ChEMBL
CHEMBL25424- ChEBI
CHEBI:7524- UNII
- FG5V0N8P2H
- EC Number
- 205-540-2、230-597-5、255-053-4
- Nikkaji
- J26.204H、J8.909E
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 4,6
- Polarare Oberfläche (TPSA)
- 20,2 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 7
- Schwere Atome
- 16
- Formalladung
- 0
- Komplexität
- 269
Experimentelle und physikochemische Eigenschaften
Density0.872-0.879
Solubility
Soluble in most fixed oils and propylene glycol; slightly soluble in water; insoluble in glycerol
Soluble (in ethanol)
Boiling Point275-277 °C
Refractive Index1.478-1.483
Physical Description
Liquid
Colourless or very pale straw-coloured oily liquid; Faint woody-floral, slightly rose apple aroma
Kovats Retention Index
1548；1555；1556；1560；1547；1541；1546；1547；1535；1556；1547；1591；1540；1555；1565；1579；1547；1553；1549；1536
1563；1565；1569；1564；1574；1569；1564；1562；1561；1563；1575；1565；1565；1564；1563；1553；1561；1564；1563；1563
2041；2051；2035；2053；2033；2043；2033；2029；2006；2038；2017；1991；2046；2039；2054；2028；2037；2026；2013；2020
1545；1547；1538；1554；1575；1541；1566；1548；1551；1545；1546；1544；1553；1562；1563；1539；1539；1555；1555；1550
1565；1564；1583；1583；1559；1539；1563；1571；1565.6；1568；1550；1567.7；1568.9；1572.5；1562；1568；1574；1565；1573；1562
2050；2052；2046；2050；2012；2045；2039；2037；2024；2033；2031；2057；1991；1991；2003；2003；2056；2041；2044；2034
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for < 0.1% (1 of 2148) of reports.
Warning
H317 (11.1%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (87.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H400 (34.2%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H410 (99.9%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
P261, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2148 reports by companies from 21 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 2148 reports by companies.；There are 20 notifications provided by 2147 of 2148 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Regulatory Information
Chemical: 1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 18-07-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/1931
Chemie und Industrie
Verwendung und Herstellung
U.S. Production2022: 16,020 lb；2021: 17,700 lb；2020: 25,373 lb
Consumer UsesFragrance
Industry UsesFragrance
Household Products
Information on 1 consumer products that contain Nerolidol in the following categories is provided:；• Personal Care
Information on 3 consumer products that contain Nerolidol Isomers in the following categories is provided:；• Inside the Home
Use Classification
Fragrance Ingredients
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information
All Other Chemical Product and Preparation Manufacturing
1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-: ACTIVE
Anbieter100 Anbieter
国药集团化学试剂有限公司86-21-63210123 · [email protected]
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
南通润丰石油化工有限公司66017690 19952660367 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
Zugehörige Reaktionen
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Notizen zur Verbindung
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