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Humulene

Humulene structure

CAS No:
6753-98-6
Formula:
C15H24
Chemical Name:
Humulene
Synonyms:
1,4,8-Cycloundecatriene,2,6,6,9-tetramethyl-,(1E,4E,8E)-;1,4,8-Cycloundecatriene,2,6,6,9-tetramethyl-,(E,E,E)-;α-Humulene;(1E,4E,8E)-2,6,6,9-Tetramethyl-1,4,8-cycloundecatriene;Humulene;α-Caryophyllene;(±)-α-Humulene;19132-75-3;65907-25-7
Categories:
Biochemical Engineering > Plant Extracts

Description

α-Humulene is a main constituent of Tanacetum vulgare L. (Asteraceae) essential oil with anti-inflammation (IC50=15±2 µg/mL). α-Humulene inhibits COX-2 and iNOS expression[1].

Humulene Basic Attributes

Molecular Weight：

204.35

Exact Mass：

204.35

EC Number：

229-816-7

DSSTox ID：

DTXSID30858793

HScode：

2902199090

Characteristics

PSA：

0 Å²

XLogP3：

5.03540

Density：

0.8953 g/cm³ @ Temp: 20 °C

Melting Point：

<25 °C

Boiling Point：

123 °C

Flash Point：

90°C

Refractive Index：

n20/D 1.503(lit.)

Storage Conditions：

2-8°C

OH：

2.90e-10 cm3/molecule*sec

Safety Information

Transport codes：

NA 1993 / PGIII

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

RTECS Number：

GZ4817500

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Danger|H304 (18.52%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]|P261, P264, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P331, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 133 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

alpha-caryophyllene

Humulene Use and Manufacturing

Manufacturing Info：

1,4,8-Cycloundecatriene, 2,6,6,9-tetramethyl-, (1E,4E,8E)-: ACTIVE

Computed Properties

Molecular Weight:204.35
XLogP3:4.5
Exact Mass:204.187800766
Monoisotopic Mass:204.187800766
Heavy Atom Count:15
Complexity:287
Undefined Bond Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Related Drugs

Borneol
Ingredients	Ingredients include sesquiterpenes such as borneol, humulene, β-elemene, caryophyllene, triterpenoids such as oleanolic acid, maltose acid, asiatic acid, borneol ketone, borneoldiol, and erythrodiol.
Specifications	0.5Kg×40 boxes
Manufacturer	Fujian Nanping Green Pine Chemical Co., Ltd.

Recommended Suppliers of Humulene

HANGZHOU LEAP CHEM CO., LTD. Contact Supplier

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ALPHA-CARYOPHYLLENE

CAS No.: 6753-98-6

Content: 99.00%

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Guide of Humulene

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Related Drugs
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