Grundinformationen
- CAS
20780-48-7- Standard-SMILES
CCC(C)(CCCC(C)C)OC(C)=O- InChIKey
RBKRCARRXLFUGJ-UHFFFAOYSA-N- Summenformel
- C12H24O2
- Durchschnittliche Molmasse
- 200,32 g/mol
- Monoisotopische Masse
- 200,17763
Namen und Bezeichner
- Bevorzugter Name
- Tetrahydrolinalyl acetate
- IUPAC
- 3,7-dimethyloctan-3-yl acetate
- Lokaler Name
- 3,7-Dimethyloctan-3-ylacetat
- Englischer Name
- Tetrahydrolinalyl acetate
- Summenformel
- C12H24O2
- Molmasse
- 200.32
Namen und Synonyme
3,7-Dimethyloctan-3-yl acetateTetrahydrolinalyl acetateTetrahydro linalyl acetateDTXSID5041487Tetrahydro lavandulyl acetateUNII-2NDV3959AX2NDV3959AX3-Octanol, 3,7-dimethyl-, 3-acetateEINECS 244-033-0AI3-36198DTXCID3021487RefChem:188689
Weitere Namen anzeigen
TETRAHYDROLINALYLACETATcitrus ocimenol acetateTETRAHYDRO MUGYL ACETATE3,7-Dimethyloctan-3-ylacetat3,7-dimethyl-3-octanoacetate3,7-dimethyloctan-3-ylacetateTETRAHYDROLINALYL ACETATE(SG)
RBKRCARRXLFUGJ-UHFFFAOYSA-N20780-48-73-Octanol, 3,7-dimethyl-, acetateSCHEMBL473499CHEMBL3187619Tox21_301933NCGC00255630-01CAS-20780-48-7
Datenbank-Bezeichner
- CAS
20780-48-7- PubChem CID
- 89385
- DTXSID
DTXSID5041487- ChEMBL
CHEMBL3187619
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,8
- Polarare Oberfläche (TPSA)
- 26,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 7
- Schwere Atome
- 14
- Formalladung
- 0
- Komplexität
- 175
Experimentelle und physikochemische Eigenschaften
FragrancesFragrance Ingredient (Tetrahydrolinalyl acetate) -> IFRA transparency List
Physical DescriptionLiquid
Collision Cross Section154.8 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID5041487]
Physikochemische Eigenschaften
- Siedepunkt
- 211.8 · 211.8±8.0 °C(Predicted)
- Dichte
- 0.868 · 0.868±0.06 g/cm3(Predicted)
- Dampfdruck
- 19.23 Pa · 19.23Pa at 20℃
- Farbe
- A colourless oily liquid.
- Geruch (Odor)
- 100 % · at 100.00 %. fresh woody bergamot citrus floral
- Geruchsart
- floral
- Wasserlöslichkeit
- 1.58 mg/L · 1.58mg/L at 20℃
- Kosmetik-Inhaltsstoffe Funktionen
- PERFUMING
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
Warning
H315 (98.4%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P273, P280, P302+P352, P321, P332+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1654 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: 3-Octanol, 3,7-dimethyl-, acetate
3-Octanol, 3,7-dimethyl-, 3-acetate is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 3-Octanol, 3,7-dimethyl-, 3-acetate 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: 3,7-dimethyloctan-3-yl acetate (EC: 244-033-0)
3,7-dimethyloctan-3-yl acetate: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (98.4%)
Sicherheitsdaten
- tsca
- TSCA listed
- Toxizität
- Both the acute oral LD50 value in rats and the acute dermal LD50 value in rabbits exceeded 5 g/kg (Wohl, 1974).
Chemie und Industrie
Verwendung und Herstellung
U.S. Production2023: 8,282,536 lb
Consumer UsesFragrance
Industry UsesFragrance
Household ProductsInformation on 6 consumer products that contain Tetrahydrolinalyl acetate in the following categories is provided:
Use ClassificationFragrance Ingredients
General Manufacturing Information
All Other Chemical Product and Preparation Manufacturing
3-Octanol, 3,7-dimethyl-, 3-acetate: ACTIVE
Anwendungen
OccurrenceHas apparently not been reported to occur in nature.
Darstellung
synthetischeBy acetylation of tetrahydromuguol (Arctander, 1969).
Anbieter12 Anbieter
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
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