 Home > Encyclopedia > 3,7-Dimethyl-1,7-octanediol

3,7-Dimethyl-1,7-octanediol

3,7-Dimethyl-1,7-octanediol structure

CAS No:
107-74-4
Formula:
C10H22O2
Chemical Name:
3,7-Dimethyl-1,7-octanediol
Synonyms:
1,7-Octanediol,3,7-dimethyl-;3,7-Dimethyl-1,7-octanediol;Hydroxycitronellol;Citronellol,hydroxy-;2,6-Dimethyl-2,8-octanediol;3,7-Dimethyloctan-1,7-diol;NSC 406140;NSC 67886;Hydroxyciol;1321-91-1
Categories:
Cosmetic Ingredient > Perfuming

Description

Hydroxycitronellol has an odor reminiscent of rose and grape hyacinth. Hydroxyeitronellol has an odor reminiscent of rose and grape hyacinth. May be prepared by hydrogenation (under pressure in presence of Raney Ni) of 3,7-dimethyl-7-hydroxy-octan-l-al; also in good yields by catalytic hydrogenation (using Raney Ni) of 1.2-epoxy-3,7-dimethyl-octan-7-ol.

colourless very viscous liquid; mild sweet odour

Hydroxycitronellol is an aliphatic alcohol.

3,7-Dimethyl-1,7-octanediol Basic Attributes

Molecular Weight：

174.28

Exact Mass：

174.28

EC Number：

203-517-1

NSC Number：

406140|67886

DSSTox ID：

DTXSID6044513

Characteristics

PSA：

40.5

XLogP3：

1.94610

Appearance：

colourless very viscous liquid; mild sweet odour

Density：

0.935 g/cm³ @ Temp: 20 °C

Melting Point：

47.36°C (estimate)

Boiling Point：

265 °C

Flash Point：

108.5ºC

Refractive Index：

1.4599

Water Solubility：

slightly soluble in water; soluble in alcohol and oils

Vapor Pressure：

0.00139mmHg at 25°C

Toxicity：

Both the acute oral LD 50 value in rats and the acute dermal LD 50 valuein rabbits exceeded 5 g/kg(Levenstein, 1973).

Safety Information

safety instructions：

24/25

Precautionary statement(s)：

P264, P280, P305+P351+P338, P33, P313

Hazard Statements：

H319

GHS Classification：

Not Classified

Drug Information

MeSH Entry Terms：

3,7-dimethyl-1,7-octanediol

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

Methods of Manufacturing

It is formed by hydrogenation of 3, 7-dimethyl-7-hydroxyoctanal under pressure under nickel catalysis. It can also be hydrogenated from 1, 2-epoxy-3, 7-dimethyl-7-octanol under nickel catalysis.

Uses

GB 2760-1996 stipulates the allowed use of edible spices. Mainly used to formulate cherry and citrus flavors.

Manufacturing Info：

1,7-Octanediol, 3,7-dimethyl-: ACTIVE

Use Classification：

Food additives -> Flavoring Agents|Fatty Acyls [FA] -> Fatty alcohols [FA05]

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:174.28
XLogP3:1.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:174.161979940
Monoisotopic Mass:174.161979940
Topological Polar Surface Area:40.5
Heavy Atom Count:12
Complexity:110
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Learn More Other Chemicals

Celery ketone

3720-16-9
Cetalox

3738-00-9
(-)-Ambrox

6790-58-5
1-Methoxy-1-methylcyclododecane Formula

37514-30-0
Benzyl tiglate Formula

37526-88-8
2-Methyldodecanal Formula

37596-36-4
5-Cyclohexadecen-1-one Structure

37609-25-9
2-Undecen-1-ol Structure

37617-03-1
What is 2-Methyl-3-pentenoic acid

37674-63-8
What is Myrac aldehyde

37677-14-8

Hot Searches: chemical formula for ethanol; limestone formula; radial nerve palsy; nocl; 2 pentanone; drospirenone-ethinyl estradiol

Guide of 3,7-Dimethyl-1,7-octanediol

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Learn More Other Chemicals

3,7-Dimethyl-1,7-octanediol

SDS

Request for Quotation



Feedback & Suggestions

Send Message

Thank you for your feedback. If you require further assistance, please contact us by email at info@echemi.com or call us at +86-532-55729510.