6-Methyl-5-hepten-2-ol

HCID 20745CAS 1569-60-4

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Grundinformationen

Standard-SMILES: CC(C)=CCCC(C)O
InChIKey: OHEFFKYYKJVVOX-UHFFFAOYSA-N
Summenformel: C8H16O
Durchschnittliche Molmasse: 128,21 g/mol
Monoisotopische Masse: 128,12011513

Überblick

Sulcatol is a secondary alcohol. It has a role as a pheromone.

Namen und Bezeichner

Bevorzugter Name: 6-Methyl-5-hepten-2-ol
IUPAC: 6-methylhept-5-en-2-ol
Lokaler Name: 6-Methylhept-5-en-2-ol
Englischer Name: (R)-(-)-6-Methyl-5-hepten-2-ol
Summenformel: C8H16O
Molmasse: 128.21

Namen und Synonyme

6-METHYL-5-HEPTEN-2-OL6-Methylhept-5-en-2-ol1569-60-4Sulcatol5-Hepten-2-ol, 6-methyl-6-Hydroxy-2-methyl-2-hepteneDTXSID8051754NSC-6627333321H09GIDTXCID7030309FEMA NO. 4884CHEBI:15833

Weitere Namen anzeigen

6-methyl-5-hepten-2-oIsometheptene Impurity 4(R)-6-METHYL-5-HEPTEN-2-OL(n)-6-methyl-5-hepten-2-ol(±)-6-Methyl-5-hepten-2-ol6-METHYL-5-HEPTEN-2-OL 99+%

RefChem:889486216-377-1(+/-)-6-Methyl-5-Hepten-2-ol4630-06-22-Methyl-2-hepten-6-olMFCD00004561NSC 662736-methyl-hept-5-en-2-ol

Datenbank-Bezeichner

CAS: 1569-60-4、4630-06-2
PubChem CID: 20745
DTXSID: DTXSID8051754
ChEBI: CHEBI:15833
UNII: 33321H09GI
EC Number: 216-377-1
Nikkaji: J44.141D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,3
Polarare Oberfläche (TPSA): 20,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 3
Schwere Atome: 9
Formalladung: 0
Komplexität: 90,7

Experimentelle und physikochemische Eigenschaften

LipidsFatty Acyls [FA] -> Fatty alcohols [FA05]

FragrancesFragrance Ingredient (2-Methyl-2-hepten-6-ol) -> IFRA transparency List

Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food

Flavoring AgentsEU Flavoring substances

Physikochemische Eigenschaften

Schmelzpunkt: -31.5 °C · -31.5°C (estimate)
Siedepunkt: 78 °C/14 · 78 °C/14 mmHg (lit.)
Dichte: 0.844 g/mL · 0.844 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.448(lit.)
Flammpunkt: 154 °F · 154 °F
Löslichkeit: soluble in Chloroform
Aggregatzustand: Oil
pka: 15.25 · 15.25±0.20(Predicted)
Farbe: Yellow
Geruch (Odor): 1 % · at 1.00 % in dipropylene glycol. sweet oily green coriander
Geruchsart: green
Biologische Quelle: synthetic
Wasserlöslichkeit: Soluble in Chloroform. Not miscible with water.
BRN: 1720073 · 1720073
Major Application: flavors and fragrances
Kosmetik-Inhaltsstoffe Funktionen: PERFUMING
InChI: 1S/C8H16O/c1-7(2)5-4-6-8(3)9/h5,8-9H,4,6H2,1-3H3
InChIKey: OHEFFKYYKJVVOX-UHFFFAOYSA-N
SMILES: CC(O)CC\C=C(\C)C
LogP: 2.57 · 2.570
EPA chemische Informationen: 6 · 6-Methyl-5-hepten-2-ol (1569-60-4)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 3 Einträge

This chemical does not meet GHS hazard criteria for 98.6% (142 of 144) of all reports.

Not Classified

Aggregated GHS information provided per 144 reports by companies from 2 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory Information · 3 Einträge

Chemical: 5-Hepten-2-ol, 6-methyl-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

5-Hepten-2-ol, 6-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - 5-Hepten-2-ol, 6-methyl-: Environment tier I assessment

Hazard Classes and CategoriesNot Classified

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
risk_code: 40-67-36/37/38
hazard_code: Xn
safety_code: 36/37-24/25-23
Speicherklasse: 10 - Combustible liquids

Chemie und Industrie

Pharmakologische Informationen

Cellular LocationsCytoplasm

Verwendung und Herstellung

Use ClassificationFragrance Ingredients

General Manufacturing Information5-Hepten-2-ol, 6-methyl-: ACTIVE

Anwendungen

VerwendenSulcatol is an compound used in the synthesis of aggregation pheromone of the ambrosia beetle, an insect pest of harvested timber in the Pacific North Coast.