3,7-Dimethyloct-7-en-1-ol

3,7-Dimethyl-7-octen-1-ol

HCID 543323CAS 141-25-3
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Grundinformationen

Standard-SMILES
C=C(C)CCCC(C)CCO
InChIKey
JGQFVRIQXUFPAH-UHFFFAOYSA-N
Summenformel
C10H20O
Durchschnittliche Molmasse
156,26 g/mol
Monoisotopische Masse
156,15141526

Überblick

fragrance ingredient; structure in first source

Namen und Bezeichner

Bevorzugter Name
3,7-Dimethyl-7-octen-1-ol
IUPAC
3,7-dimethyloct-7-en-1-ol
Lokaler Name
3,7-Dimethyloct-7-en-1-ol
Englischer Name
Rhodinol
Summenformel
C10H20O
Molmasse
156.27

Namen und Synonyme

3,7-Dimethyl-7-octen-1-ol141-25-37-OCTEN-1-OL, 3,7-DIMETHYL-RefChem:918993,7-Dimethyloct-7-en-1-olalpha-Citronellol2,6-Dimethyl-1-octen-8-ol.alpha.-CitronellolEINECS 205-473-9a-CitronellolRhodinol?S-(-)-3,7-Dimethyl-7-octen-1-ol
Weitere Namen anzeigen
RHODINOLRHODINOL FINERHODINOL FCCRhodinol CrudeRHODINOL, NATURALRHODINOL SUBSTITUTERHODINOL, SYNTHETICRHODINOL PURE EXTRA FCC3,7-dimethyl-7-octen-1-o
3,7-Dimethyl-7-octen-1-ol-, (S)-SCHEMBL116734FEMA 2980Tox21_302625LMFA05000637MFCD01110892(S)-3,7-dimethyl-oct-7-en-1-olAKOS004905699

Datenbank-Bezeichner

CAS
141-25-3
PubChem CID
543323
DTXSID
DTXSID2047193
EC Number
205-473-9
Nikkaji
J42.532J

Eigenschaften

Berechnete Struktureigenschaften

XLogP
3,5
Polarare Oberfläche (TPSA)
20,2 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
6
Schwere Atome
11

Experimentelle und physikochemische Eigenschaften

LipidsFatty Acyls [FA] -> Fatty alcohols [FA05]
SpringerMaterials PropertiesSurface tension
FragrancesFragrance Ingredient (3,7-Dimethyloct-7-en-1-ol) -> IFRA transparency List
Food AdditivesANTIOXIDANT, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food

Physikochemische Eigenschaften

Schmelzpunkt
-4.05 °C · -4.05°C (estimate)
Siedepunkt
68 · 68-70 °C1.8 mm Hg(lit.)
Dichte
0.865 g/mL · 0.865 g/mL at 25 °C(lit.)
Brechungsindex
20 · n20/D 1.469(lit.)
FEMA
2980 · 2980 | RHODINOL
Flammpunkt
210 °F · 210 °F

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H315 (81.9%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 216 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: 7-Octen-1-ol, 3,7-dimethyl-

7-Octen-1-ol, 3,7-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - 7-Octen-1-ol, 3,7-dimethyl-: Environment tier I assessment
Hazard Classes and CategoriesSkin Irrit. 2 (81.9%)

Sicherheitsdaten

wgk
2
tsca
TSCA listed
RTECS-Nr.
RH3410000
hazard_code
Xi
safety_code
26-36

Chemie und Industrie

Pharmakologische Informationen

Cellular LocationsExtracellular

Verwendung und Herstellung

Use ClassificationFragrance Ingredients
General Manufacturing Information7-Octen-1-ol, 3,7-dimethyl-: ACTIVE
Anwendungen · 2 Einträge

VerwendenRhodinol is a flavoring agent that is a colorless liquid, with an odor resembling rose. It is soluble in most fixed oils, mineral oil, and propylene glycol, insoluble in glycerin. It is usually obtained from reunion germanium oil.

VerwendenRhodinol is an expensive perfume material (about twice the cost of Geranium oil) but it is unsurpassed in floral beauty. It can not be replaced by any grade of Citronellol (synthetic or Citronella-isolate) in a composition. The flavor chemist may be even more discriminate, since “Rhodinol” is used as a Sweet undertone In 3trawberry, Kaspberry, Currant, Honey, Grape and in fruit complexes, spice blends, Ginger Ale flavor, Chocolate imitation, etc. The concentration is normally about 1 to 10 ppm in the finished product, except in chewing gum, where it may reach 30 ppm.

Vor- und nachgelagerte Produkte

Anbieter47 Anbieter

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
湖北科麦迪化工有限公司18372743325
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]

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