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Oils, valerian

Oils, valerian structure

CAS No:
8008-88-6
Chemical Name:
Oils, valerian
Synonyms:
Oils,valerian;Oil of Valerian;Valerian oil;Oils,Valerianaofficinalis
Categories:
Flavors and Fragrances > Natural Spices

Description

Yellowish or brownish liquid; penetratingodor. Soluble in alcohol, ether, chloroform, acetone, benzene,and carbon disulfide. Combustible. Valerian oil is obtained by steam distillation of well-dried ground roots of Valerianaofficinalis L. (Valerianaceae). It is a yellow-green to yellow-brown liquidwith an extremely strong, characteristic, penetrating odor.The oil becomes darkand viscous on aging or on exposure to air.
d
25
25
0.942–0.984; n
20
D
1.4860–1.5025

Valerian is a botanical extract derived from the roots of Valeriana officinalis, which is widely used in herbal medicine for insomnia, anxiety and digestive and urinary problems. Valerian has been linked to rare instances of clinically apparent liver injury.

Oils, valerian Basic Attributes

Molecular Weight：

222.37

Exact Mass：

190.035706

EC Number：

232-501-7

DSSTox ID：

DTXSID9040186

Characteristics

PSA：

17.1

XLogP3：

4.36

Density：

1.1±0.1 g/cm3

Boiling Point：

198.7±19.0 °C at 760 mmHg

Flash Point：

44°C

Refractive Index：

1.464

Water Solubility：

3.101 mg/L @ 25 °C (est)

Toxicity：

Oral-rat LD50: 15000 mg/kg

Flammability characteristics：

Combustible, burning produces irritating smoke

Specific rotation：

-25 º

Safety Information

Storage features：

Ventilated, low temperature and dry

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P261, P264, P272, P273, P280, P301+P310, P302+P352, P303+P361+P353, P305+P351+P338, P321, P331, P333+P313, P337+P313, P363, P370+P378, P391, P403+P235, P405, P501

Hazard Statements：

H226

GHS Classification：

|Danger|H226 (96.61%): 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, P305+P351+P338, P321, P331, P333+P313, P337+P313, P363, P370+P378, P391, P403+P235, P405, and P501|Aggregated GHS information provided by 59 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Toxicity

Toxicity class：

nontoxic

Hepatotoxicity：

Valerian has been implicated in a small number of cases of clinically apparent liver injury, but usually in combination with other botanicals such as skullcap or black cohosh. In view of its wide scale use, valerian has to be considered a very rare cause of hepatic injury. In published cases, the latency to onset ranged from 3 to 12 weeks and the pattern of enzyme elevations was usually hepatocellular or mixed hepatocellular-cholestatic. The liver injury was usually mild-to-moderate in severity with recovery within 2 to 4 months of stopping. Immunoallergic and autoimmune features were not present. Severe cases with features of hepatic failure have been described, but usually in association with other potentially hepatotoxic herbals.

Drug Information

LiverTox Summary：

Drug Classes：

Herbal and Dietary Supplements

Oils, valerian Use and Manufacturing

Methods of Manufacturing

It is obtained by steam distillation of the roots and rhizomes of Valeriana officinalis (Valeriana officinalis). The yield is 0.2%～0.6%. V. jatamansi, a plant of the same family in Yunnan, Sichuan, Guizhou and other real estates in my country, can also be used for extracting oil, which is called

Uses

my country GB 2760-96 stipulates that it is allowed to use edible spices. It is mainly used to prepare flavors such as beer (combined with hops) and cider; used to prepare flavors for tobacco, food and wine. Sometimes a small amount is used in cosmetic flavors.

Manufacturing Info：

Oils, valerian: ACTIVE

Computed Properties

Molecular Weight:222.37
XLogP3:4.4
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:222.198365449
Monoisotopic Mass:222.198365449
Topological Polar Surface Area:17.1
Heavy Atom Count:16
Complexity:294
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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