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3,7-Dimethyl-1-octanol

3,7-Dimethyl-1-octanol structure

CAS No:
106-21-8
Formula:
C10H22O
Chemical Name:
3,7-Dimethyl-1-octanol
Synonyms:
1-Octanol,3,7-dimethyl-;3,7-Dimethyl-1-octanol;Citronellol,dihydro-;Dihydrocitronellol;2,6-Dimethyl-8-octanol;Geraniol,perhydro-;Geraniol,tetrahydro-;Geraniol tetrahydride;Pelargol;Perhydrogeraniol;Tetrahydrogeraniol;3,7-Dimethyloctane-1-ol;(±)-3,7-Dimethyloctan-1-ol;NSC 18917;59204-02-3
Categories:
Cosmetic Ingredient > Perfuming

Description

Tetrahydrogeraniol has been identified in citrus oils and is a colorless liquid with a waxy, rose-petal-like odor. It is prepared by hydrogenation of geraniol or citronellol in the presence of a nickel catalyst and is a by-product in the synthesis of citronellol from geraniol or nerol. Because of its stability, it is often used to perfume household products. 3,7-Dimethyl-1-octanol has a sweet, rosy odor and bitter tas Clear colorless liquid

Liquid|colourless liquid with a sweet, rose-like odour

3,7-Dimethyl-1-octanol Basic Attributes

Molecular Weight：

158.28

Exact Mass：

158.28

EC Number：

203-374-5

NSC Number：

18917

DSSTox ID：

DTXSID5044360

HScode：

29051990

Characteristics

PSA：

20.2

XLogP3：

3.6

Appearance：

Clear colorless Liquid

Density：

0.852 g/cm³ @ Temp: 18 °C

Melting Point：

-1.53°C (estimate)

Boiling Point：

115-120 °C @ Press: 15 Torr

Flash Point：

203 °F

Refractive Index：

n 20/D 1.436(lit.)

Water Solubility：

soluble in most fixed oils and propylene glycol; insoluble in glycerol

Vapor Pressure：

<0.01 mm Hg ( 20 °C)

Vapor Density：

5.4 (vs air)

Safety Information

Packing level：

Ⅲ

Transport codes：

UN 3082 9 / PGIII

wgk germany：

hazard class code：

36/37/38

safety instructions：

23-26-36

RTECS Number：

RH0900000

Marks：

Precautionary statement(s)：

P305 + P351 + P338

Hazard Statements：

H315-H319-H411

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P273, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362, P391, and P501|Aggregated GHS information provided by 1796 companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

3,7-dimethyl-1-octanol

3,7-Dimethyl-1-octanol Use and Manufacturing

Methods of Manufacturing

It is generally obtained by hydrogenation of geraniol or citronellol.

Uses

spices. Mainly used to prepare citrus flavors. It is mainly used in the United States for baked goods, non-alcoholic beverages, gumdrops, candy, cold drinks, pickled foods, etc.

Fragrance Ingredients

Manufacturing Info：

All other chemical product and preparation manufacturing|1-Octanol, 3,7-dimethyl-: ACTIVE|1-Octanol, dimethyl-: ACTIVE

Use Classification：

EPA Safer Chemical Functional Use Classes -> Fragrances|Safer Chemical Classes -> Yellow triangle - The chemical has met Safer Choice Criteria for its functional ingredient-class, but has some hazard profile issues|Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index|Fatty Acyls [FA] -> Fatty alcohols [FA05]

Food Additive Classes：

Flavoring Agents

Analysis Methods

Name	Column Shape	Active Phase(℃)	Retention index	Temperature Control	Method	Comments	Reference
Kovats' RI, non-polar column, isothermal	Capillary	SE-30	1180.7	100.	isothermal	40. m/0.35 mm/0.35 μm	Tudor, E.Temperature dependence of the retention index for perfumery compounds on a SE-30 glass capillary column. I. Linear equationsJ. Chromatogr. A1997, 779, 1-2, 287-297.
Kovats' RI, non-polar column, isothermal	Packed	Apiezon L	1145.	150.	isothermal		ter Heide, R.Studies on Terpenes. III. Gas Chromatography of Acyclic Monoterpene AlcoholsJ. Chromatogr.1976, 129, 143-154.
Kovats' RI, non-polar column, isothermal	Packed	SE-30	1190.	160.	isothermal	N2, Chromosorb W; Column length: 6.145 m	Hedin, P.A.Thompson, A.C.Gueldner, R.C.Application of a Sequential Reduction Regimen to Fractionation of Essential OilsAnal. Chem.1972, 44, 7, 1254-1257.
Kovats' RI, non-polar column, isothermal	Packed	Carbowax 20M	1675.	150.	isothermal		ter Heide, R.Studies on Terpenes. III. Gas Chromatography of Acyclic Monoterpene AlcoholsJ. Chromatogr.1976, 129, 143-154.
Kovats' RI, non-polar column, isothermal	Packed	PEG 4000	1685.	175.	isothermal	N2, Chromosorb P; Column length: 6.145 m	Hedin, P.A.Thompson, A.C.Gueldner, R.C.Application of a Sequential Reduction Regimen to Fractionation of Essential OilsAnal. Chem.1972, 44, 7, 1254-1257.

Computed Properties

Molecular Weight:158.28
XLogP3:3.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:6
Exact Mass:158.167065321
Monoisotopic Mass:158.167065321
Topological Polar Surface Area:20.2
Heavy Atom Count:11
Complexity:78.9
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Synthesis Route

60018-13-5

Recommended Suppliers of 3,7-Dimethyl-1-octanol

LEADER BIOCHEMICAL GROUP Contact Supplier

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China Professional Factory Manufacturer Supply Hight Quality 3,7-DIMETHYL-1-OCTANOL CAS 106-21-8

CAS No.: 106-21-8

Grade: Food Grade

Content: 99%

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HANGZHOU LEAP CHEM CO., LTD. Contact Supplier

CN
5 YRS

Business licensed

Trader Supplier of Intermediates,Building blocks,API,Silicones,Peptides,Lab chemicals,Biochemicals,Pharmaceuticals,Screening Compounds,Food Additives

3,7-DIMETHYL-1-OCTANOL

CAS No.: 106-21-8

Content: 99.00%

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Guide of 3,7-Dimethyl-1-octanol

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Analysis Methods
Computed Properties
Synthesis Route
Recommended Suppliers
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3,7-Dimethyl-1-octanol

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