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(E)-β-Ocimene

(E)-β-Ocimene structure

CAS No:
3779-61-1
Formula:
C10H16
Chemical Name:
(E)-β-Ocimene
Synonyms:
1,3,6-Octatriene,3,7-dimethyl-,(3E)-;1,3,6-Octatriene,3,7-dimethyl-,(E)-;(3E)-3,7-Dimethyl-1,3,6-octatriene;trans-β-Ocimene;β-trans-Ocimene;trans-3,7-Dimethyl-1,3,6-octatriene;(E)-β-Ocimene;(E)-Ocimene;(E)-3,7-Dimethyl-1,3,6-octatriene;(3E)-Ocimene;(E)-3,7-Dimethyl-1,3,6-octatriene;β-(E)-Ocimene
Categories:
Organic Chemistry > Hydrazine or Hydroxylamine Derivatives

Description

Liquid

Liquid|Colourless to straw-coloured mobile liquid; warm herbaceous aroma

(E)-beta-ocimene is a beta-ocimene that consists of octa-1,3,6-triene bearing two methyl substituents at positions 3 and 7 (the 3E-isomer). It has a role as a plant metabolite.

(E)-β-Ocimene Basic Attributes

Molecular Weight：

136.23404

Exact Mass：

136.23

EC Number：

223-241-5

UNII：

38BQ4UYY06

DSSTox ID：

DTXSID8040567|DTXSID70274135

Characteristics

PSA：

XLogP3：

4.3

Appearance：

Liquid

Density：

d420 0.799

Boiling Point：

175.2ºC at 760mmHg

Flash Point：

46.9ºC

Refractive Index：

1.458

Water Solubility：

Insoluble in water; soluble in oils

OH：

2.52e-10 cm3/molecule*sec

Safety Information

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P273, P280, P301+P310, P303+P361+P353, P331, P370+P378, P403+P235, P405, P501

Hazard Statements：

H226

GHS Classification：

|Danger|H226 (86.54%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P330, P331, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 104 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P273, P280, P301+P310, P303+P361+P353, P331, P370+P378, P403+P235, P405, and P501|Aggregated GHS information provided by 1772 companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

beta-ocimene

(E)-β-Ocimene Use and Manufacturing

Uses

Air care products

Production

< 25,000 lb

Manufacturing Info：

1,3,6-Octatriene, 3,7-dimethyl-: ACTIVE

Use Classification：

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index|Lipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C10 isoprenoids (monoterpenes) [PR0102]

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:136.23
XLogP3:4.3
Rotatable Bond Count:3
Exact Mass:136.125200510
Monoisotopic Mass:136.125200510
Heavy Atom Count:10
Complexity:155
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of (E)-β-Ocimene

Shaanxi Dideu Medichem Co. Ltd Contact Supplier

CN
5 YRS

Business licensed Certified factory

Manufactory Supplier of Chemical Pesticides,Food Additives,Agrochemicals,Active Pharm Ingredients,Flavors and Fragrances,Chemical Catalyst,Chemical Materials,Chem&Pharm Intermediates,Organic Intermediates,Feed Additive

(E)-3,7-dimethylocta-1,3,6-triene 99% Dideu

CAS No.: 3779-61-1

Grade: Industrial Grade

Content: 99%

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