Rhodinol

7-Octen-1-ol, 3,7-dimethyl-, (S)- · FEMA 2980 · Rose alcohol · Rosiol · Rhobinol · RHODINOL G · RHODINOL 70 · (S)-rhodinol

Identifikatoren & physikalische Daten

CAS No.	6812-78-8
Summenformel	C10H20O
Durchschnittliche Molmasse	156,26 g/mol
Monoisotopische Masse	156,15141526 g/mol
SMILES	C=C(C)CCC[C@H](C)CCO
InChIKey	JGQFVRIQXUFPAH-JTQLQIEISA-N
PubChem CID	81263
ChEMBL	CHEMBL3182701
EC No.	229-887-4
DTXSID	DTXSID1047233
Lokaler Name	Rhodinol

XLogP	3,5
Polarare Oberfläche (TPSA)	20,2
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	1
Frei drehbare Bindungen	6
Schwere Atome	11
Formalladung	0
Komplexität	107
Duftstoffe	Fragrance Ingredient (Rhodinol) -> IFRA transparency List
Lebensmittelzusatzstoffe	ANTIOXIDANT, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Dichte	0.860-0.8800.865 g/mL at 25 °C(lit.)
Aromastoffe	EU Flavoring substances
Löslichkeit	Insoluble in glycerol, watersoluble in most fixed oils, propylene glycolsoluble (in ethanol)
Siedepunkt	132-135 °C (4 mm Hg)68-70 °C1.8 mm Hg(lit.)
Brechungsindex	1.463-1.473n20/D 1.469(lit.)
Physical Description	Colourless liquidpronounced rose-like aroma
Schmelzpunkt	-4.05°C (estimate)
FEMA	2980 \| RHODINOL
Flammpunkt	210 °F
pKa (Säurekonstante)	15.13±0.10(Predicted)
Geruch	at 100.00 %. floral red rose fruity metallic
Geruchsart	floral
JECFA Number	1222
Kosmetik-Inhaltsstoffe Funktionen	PERFUMING
LogP (Verteilungskoeffizient)	3.39
EPA chemische Informationen	7-Octen-1-ol, 3,7-dimethyl-, (3S)- (6812-78-8)

GHS-Einstufung	DangerH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P272, P280, P302+P352, P305+P354+P338, P317, P321, P332+P317, P333+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1496 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatorische Informationen	Chemical: 7-Octen-1-ol, 3,7-dimethyl-, (S)-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)7-Octen-1-ol, 3,7-dimethyl-, (3S)-: Does not have an individual approval but may be used under an appropriate group standard
Weitere Sicherheitsinformationen	IMAP assessments - 7-Octen-1-ol, 3,7-dimethyl-, (S)-: Environment tier I assessment
Hazard Classes and Categories	Skin Irrit. 2 (100%)
Wassergefährdungsklasse (WGK)	2
TSCA-Inventar-Status	TSCA listed
RTECS-Nr.	RH3410000
Gefahrensymbole	Xi
Sicherheitshinweise (S)	26-36