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1113-21-9

1113-21-9 Structure

1113-21-9 Structure
IdentificationMore
[Name]

Geranyl linalool
[CAS]

1113-21-9
[Synonyms]

3,7,11,15-TETRAMETHYL-1,6,10,14-HEXADECATETRAEN-3-OL
3,7,11,15-TETRAMETHYL-1,6,10,14-HEXADECATETRAENE-3-OL
GERANYL LINALOL
GERANYL LINALOOL
(e,e)-3,7,11,15-tetramethylhexadeca-1,6,10,14
(e,e)-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-3-ol
10,14-hexadecatetraen-3-ol,3,7,11,15-tetramethyl-,(e,e)-6
6,10,14-Hexadecatetraen-3-ol,3,7,11,15-tetramethyl-,(E,E)-1
e,e-3,7,11,15-tetramethyl-1,6,10,14-hexadecatetraen-3-ol
geranyllinalool,mixtureofisomers
Geranyl linalool, tech., mixture of isomers, ca. 95%
1,6,10,14-Hexadecatetraen-3-ol, 3,7,11,15-tetramethyl-, (6E,10E)-
(E,E)-3,7,11,15-Tetramethylhexadeca-1,6,10,-tetraen-3-ol
GERANYL-LINALOOL (MIXTURES OF ISOMERS)
(6E,10E)-3,7,11,15-Tetramethylhexadeca-1,6,10,14-tetraen-3-ol
1,6,10,14-Hexadecatetraen-3-ol, 3,7,11,15-tetramethyl-, (E,E)-
Geranyl linalool, mixture of isomers, ca. 95%, tech.
Geranyl linalool, tech., mixture of isomers
(6E,10E)-3,7,11,15-Tetramethyl-1,6,10,14-hexadecatetren-3-ol
[3S,6E,10E,(+)]-3,7,11,15-Tetramethyl-1,6,10,14-hexadecatetrene-3-ol
[EINECS(EC#)]

214-201-8
[Molecular Formula]

C20H34O
[MDL Number]

MFCD00059363
[Molecular Weight]

290.48
[MOL File]

1113-21-9.mol
Chemical PropertiesBack Directory
[Appearance]

clear colourless to pale yellowish liquid
[Boiling point ]

250 °C
[density ]

0.885 g/mL at 20 °C(lit.)
[refractive index ]

n20/D 1.490
[Fp ]

160°C
[storage temp. ]

Sealed in dry,2-8°C
[solubility ]

Chloroform (Slightly), DMSO (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
[form ]

Liquid
[pka]

14.40±0.29(Predicted)
[color ]

Clear colorless to pale yellow
[Odor]

at 100.00 %. mild floral rose balsam
[Odor Type]

floral
[Water Solubility ]

insoluble
[BRN ]

6713421
[Stability:]

Light Sensitive
[Cosmetics Ingredients Functions]

PERFUMING
[InChI]

1S/C20H34O/c1-7-20(6,21)16-10-15-19(5)14-9-13-18(4)12-8-11-17(2)3/h7,11,13,15,21H,1,8-10,12,14,16H2,2-6H3/b18-13+,19-15+
[InChIKey]

IQDXAJNQKSIPGB-HQSZAHFGSA-N
[SMILES]

C\C(C)=C/CC\C(C)=C\CC\C(C)=C\CCC(C)(O)C=C
[LogP]

7.351 (est)
[CAS DataBase Reference]

1113-21-9(CAS DataBase Reference)
[NIST Chemistry Reference]

1,6,10,14-Hexadecatetraen-3-ol, 3,7,11,15-tetramethyl-, (e,e)-(1113-21-9)
[EPA Substance Registry System]

1113-21-9(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P264-P271-P280-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

2
[RTECS ]

MM0335000
[F ]

10
[TSCA ]

TSCA listed
[REACH Registrations]

Active
[HS Code ]

29052200
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
[Toxicity]

LD50 oral in rat: > 5gm/kg
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

3,7,11,15-Tetramethyl-1,6,10,14-hexadecatetraene-3-ol(1113-21-9).msds
Questions And AnswerBack Directory
[Description]

Geranyl linalool is a colorless and transparent liquid. Structurally, geranyl linalool is a straight chain diterpenoid. Being bioactive natural product, geranyl linalool is the essential ingredients that determine the spice type. In the other hand, geranyl linalool was also an important intermediate for Teprenone, a gastric mucosa protective agent. Employing geranyl linalool as substrate, the most convenient synthesis method of Teprenone would be achieved. Catalyzed by isopropanol aluminum and reacted with methyl acetoacetate, Teprenone could be obtained in one step. Geranyl linalool can also be used as insect pheromone and natural insect insecticide. So, geranyl linalool possesses important economic value.

Hazard InformationBack Directory
[Chemical Properties]

clear colourless to pale yellowish liquid
[Uses]

Geranyl Linalool is am aliphatic genaryl derivative. Geranyl Linalool unlike other genaryl derivatives showed poor inhibitory activity against carotenoid synthesis in Synechococcus. Geranyl Linalool was identified as a testosterone-dependent volatile compound in the preputial gland of rat Rattus norvegicus.
[Definition]

ChEBI: A diterpenoid that is linalool in which one of the terminal methyl hydrogens is substituted by a geranyl group (the 6E,10E-geoisomer)
[General Description]

Geranyllinalool is a diterpene alcohol, commonly used as a fragrant. It imparts insecticidal property to xylophagous insects and pine wood.
Spectrum DetailBack Directory
[Spectrum Detail]

Geranyl linalool(1113-21-9)MS
Geranyl linalool(1113-21-9)1HNMR
Geranyl linalool(1113-21-9)IR1
Geranyl linalool(1113-21-9)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Geranyl linalool, tech., mixture of isomers, ca. 95%(1113-21-9)
[Sigma Aldrich]

1113-21-9(sigmaaldrich)
[TCI AMERICA]

Geranyl-linalool  (mixture of isomers),>90.0%(GC)(1113-21-9)
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