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3,7-Dimethyl-1,6-octadiene

3,7-Dimethyl-1,6-octadiene structure

CAS No:
2436-90-0
Formula:
C10H18
Chemical Name:
3,7-Dimethyl-1,6-octadiene
Synonyms:
1,6-Octadiene,3,7-dimethyl-;3,7-Dimethyl-1,6-octadiene;Dihydromyrcene;Citronellene;β-Citronellene;128241-35-0
Categories:
Cosmetic Ingredient > Perfuming

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Description

Liquid

3,7-Dimethyl-1,6-octadiene Basic Attributes

Molecular Weight：

138.25

Exact Mass：

138.25

EC Number：

219-433-3

DSSTox ID：

DTXSID8029234

HScode：

2901299090

Characteristics

PSA：

XLogP3：

3.55490

Appearance：

Liquid

Density：

0.7811 g/cm³ @ Temp: 14.4 °C

Melting Point：

-69.6°C (estimate)

Boiling Point：

165-167 °C @ Press: 750 Torr

Flash Point：

38 °C

Refractive Index：

n20/D 1.437

Storage Conditions：

2-8°C

Vapor Pressure：

2.19mmHg at 25°C

Safety Information

Packing level：

I; II; III

Transport codes：

UN 2319 3/PG 3

wgk germany：

RTECS Number：

RG5340000

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P261, P264, P272, P273, P280, P301+P310, P302+P352, P303+P361+P353, P321, P331, P332+P313, P333+P313, P362, P363, P370+P378, P403+P235, P405, P501

Hazard Statements：

H226

GHS Classification：

|Danger|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P272, P273, P280, P301+P310, P302+P352, P303+P361+P353, P321, P331, P332+P313, P333+P313, P362, P363, P370+P378, P403+P235, P405, and P501|Aggregated GHS information provided by 1610 companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

beta-citronellene

3,7-Dimethyl-1,6-octadiene Use and Manufacturing

Uses

Used as a fragrance intermediate

Intermediates

Manufacturing Info：

All other basic organic chemical manufacturing|1,6-Octadiene, 3,7-dimethyl-: ACTIVE

Computed Properties

Molecular Weight:138.25
XLogP3:4.2
Rotatable Bond Count:4
Exact Mass:138.140850574
Monoisotopic Mass:138.140850574
Heavy Atom Count:10
Complexity:116
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3,7-Dimethyl-1,6-octadiene

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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3,7-Dimethyl-1,6-octadiene

SDS

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