3,7-Dimethyl-7-octen-1-ol
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3,7-Dimethyl-7-octen-1-ol
structure -
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CAS No:
141-25-3
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Formula:
C10H20O
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Chemical Name:
3,7-Dimethyl-7-octen-1-ol
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Synonyms:
7-Octen-1-ol,3,7-dimethyl-;3,7-Dimethyl-7-octen-1-ol;1-Hydroxy-3,7-dimethyl-7-octene
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CAS No:
Characteristics
20.23000
3.39
Colourless liquid; pronounced rose-like aroma
0.8±0.1 g/cm3
-4.05°C (estimate)
68-70 °C1.8 mm Hg(lit.)
210 °F
1.443
Insoluble in glycerol, water; soluble in most fixed oils, propylene glycol
0.0197mmHg at 25°C
Safety Information
NONH for all modes of transport
2
26-36
RH3410000
Xi
P305 + P351 + P338
H319
|Danger|H315 (75.78%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P272, P273, P280, P302+P352, P305+P351+P338, P310, P321, P332+P313, P333+P313, P337+P313, P362, P363, P391, and P501|Aggregated GHS information provided by 161 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
3,7-Dimethyl-7-octen-1-ol Use and Manufacturing
It is mostly obtained from the fractionation of geraniol oil (in my country, it is restricted to geraniol oil). It contains geraniol and a small amount of citronellol. Phosphorus trichloride method can be further used to make it into chlorinated vanillyl phosphate to separate geraniol and other terpene alcohols. Or heat treatment with formic acid to decompose geraniol, while citronellol generates citronellyl formate, which is then saponified to obtain pure product.
GB 2760-1996 stipulates that those isolated from gerbera oil are allowed to be used as food flavors. Mainly used to prepare flavors such as strawberry, ginger, candied fruit, grape, grapefruit, chocolate and tobacco.
7-Octen-1-ol, 3,7-dimethyl-: ACTIVE
Food additives -> Flavoring Agents|Fatty Acyls [FA] -> Fatty alcohols [FA05]
Flavoring Agents
Computed Properties
Molecular Weight:156.26
XLogP3:3.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:6
Exact Mass:156.151415257
Monoisotopic Mass:156.151415257
Topological Polar Surface Area:20.2
Heavy Atom Count:11
Complexity:107
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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