Grundinformationen
- CAS
18479-57-7- Standard-SMILES
CCC(C)CCCC(C)(C)O- InChIKey
WRFXXJKURVTLSY-UHFFFAOYSA-N- Summenformel
- C10H22O
- Durchschnittliche Molmasse
- 158,28 g/mol
- Monoisotopische Masse
- 158,16706532
Überblick
fragrance ingredient; structure in first source
Namen und Bezeichner
- Bevorzugter Name
- Tetrahydromyrcenol
- IUPAC
- 2,6-dimethyloctan-2-ol
- Lokaler Name
- 2,6-Dimethyloctan-2-ol
- Englischer Name
- TETRAHYDROMYRCENOL
- Summenformel
- C10H22O
- Molmasse
- 158.28
Namen und Synonyme
2,6-Dimethyloctan-2-ol18479-57-72-Octanol, 2,6-dimethyl-DTXSID0044810EKV1VX27WRJ222.212DDTXCID8024810RefChem:83334242-361-9Tetrahydromyrcenol2,6-Dimethyl-2-octanolTetrahydro myrcenol
Weitere Namen anzeigen
TETRALOLTETRAHYDRO MUGUOLLinacsolTETRALOL R2,6-dimethyl-2-octanoTETRAHYDROALLOOCIMENOL
UNII-EKV1VX27WR2,6-dimethyloctane-2-olEINECS 242-361-9TETRAHYDROMUGOLAI3-24902TETRADIHYDROMYRCENOLSCHEMBL112618CHEMBL3188990
Datenbank-Bezeichner
- CAS
18479-57-7- PubChem CID
- 86751
- DTXSID
DTXSID0044810- ChEMBL
CHEMBL3188990- UNII
- EKV1VX27WR
- EC Number
- 242-361-9
- Nikkaji
- J222.212D
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,3
- Polarare Oberfläche (TPSA)
- 20,2 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 97
Experimentelle und physikochemische Eigenschaften
FragrancesFragrance Ingredient (Tetrahydromyrcenol) -> IFRA transparency List
Physical DescriptionCBI; Liquid
Physikochemische Eigenschaften
- Schmelzpunkt
- -1.53 °C · -1.53°C (estimate)
- Siedepunkt
- 197 · 197-201 °C(lit.)
- Dichte
- 0.823 g/mL · 0.823 g/mL at 25 °C(lit.)
- Dampfdruck
- 9.3 Pa · 9.3Pa at 24℃
- Brechungsindex
- 20 · n20/D 1.4335(lit.)
- Flammpunkt
- 185 °F · 185 °F
- pka
- 15.33 · 15.33±0.29(Predicted)
- Farbe
- A colourless liquid.
- Geruch (Odor)
- 100 % · at 100.00 %. fresh sweet citrus lime floral lily
- Geruchsart
- citrus
- Wasserlöslichkeit
- 281.9 mg/L · 281.9mg/L at 24℃
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 97.8% (1584 of 1619) of all reports.
Not Classified
Aggregated GHS information provided per 1619 reports by companies from 4 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Chemical: 2-Octanol, 2,6-dimethyl-
2-Octanol, 2,6-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Octanol, 2,6-dimethyl- 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)
REACH registered substance: 2,6-dimethyloctan-2-ol (EC: 242-361-9)
2,6-dimethyloctan-2-ol: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
Sicherheitsdaten
- wgk
- 2
- tsca
- TSCA listed
- risk_code
- 52/53
- Toxizität
- Both the acute oral LD50 value in rats and the acute dermal LD50 value in rabbits exceeded 5 g/kg (Wohl, 1974).
- safety_code
- 61
Chemie und Industrie
Verwendung und Herstellung
U.S. Production2023: 1,000,000 - <5,000,000 lb
Consumer UsesOdor agents
Industry UsesOther
Household ProductsInformation on 50 consumer products that contain Tetrahydroisoocimenol in the following categories is provided:
Use ClassificationFragrance Ingredients
General Manufacturing Information
Soap, Cleaning Compound, and Toilet Preparation Manufacturing
2-Octanol, 2,6-dimethyl-: ACTIVE
Anwendungen
OccurrenceHas apparently not been reported to occur in nature.
VerwendenTetrahydromuguol finds extensive use as a soap perfume chemical (mixture) and as a base for many types of floral fragrances, Muguet, Lilac, Rose, Lily, etc. It blends excellently with the conventional “rose materials”, alifatic aldehydes, Decenol, Amylcinnamic aldehyde, Butylcyclohexanyl acetate, etc. for such purposes.
Darstellung
synthetischeFrom allo-ocimene, via allo-ocimenol followed by hydrogenation (Arctander, 1969). Uses: Use in fragrances in the USA amounts to approximately 35,000 lb/yr.
Anbieter38 Anbieter
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Zugehörige Reaktionen
0
Keine Reaktionsaufzeichnungen unter den aktuellen Filterkriterien.
Notizen zur Verbindung
Wird geladen…