 Home > Encyclopedia > 3-Thujanone

3-Thujanone

3-Thujanone structure

CAS No:
1125-12-8
Formula:
C10H16O
Chemical Name:
3-Thujanone
Synonyms:
Bicyclo[3.1.0]hexan-3-one,4-methyl-1-(1-methylethyl)-;3-Thujanone;4-Methyl-1-(1-methylethyl)bicyclo[3.1.0]hexan-3-one;Chrysanthone;Tanacetone;1-Isopropyl-4-methylbicyclo[3.1.0]hexan-3-one;NSC 407281

Description

Thujone is a thujane monoterpenoid that is thujane substituted by an oxo group at position 3. It has a role as a plant metabolite. It is a thujane monoterpenoid and a cyclic terpene ketone.

3-Thujanone Basic Attributes

Molecular Weight：

152.23300

Exact Mass：

152.23

EC Number：

208-912-2

NSC Number：

407281

DSSTox ID：

DTXSID20859476

HScode：

2914299000

Characteristics

PSA：

17.07000

XLogP3：

2.25760

Density：

0.907 g/cm³ @ Temp: 20 °C

Boiling Point：

203-205 °C

Flash Point：

64.4ºC

Refractive Index：

n20/D 1.455(lit.)

Water Solubility：

Soluble in alcohol and many organic solvents

Storage Conditions：

Keep container tightly closed in a dry and well-ventilated place. Containers which are opened must be carefully resealed and kept upright to prevent leakage. Recommended storage temperature: 2 - 8 deg C. Air sensitive. /Alpha-Thujone/

Vapor Pressure：

0.449 mm Hg at 25 deg C (est)

Safety Information

Transport codes：

UN 2810 6.1/PG 3

hazard class code：

23/24/25-36/37/38-42/43

safety instructions：

23-26-36/37/39-45

Marks：

T: Toxic;

Stability/Shelf Life：

Stable under recommended storage conditions. /Alpha-Thujone/

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (90.62%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 1769 companies from 4 notifications to the ECHA C&L Inventory.|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

(+)-thujone

3-Thujanone Use and Manufacturing

Manufacturing Info：

Bicyclo[3.1.0]hexan-3-one, 4-methyl-1-(1-methylethyl)-: INACTIVE

Computed Properties

Molecular Weight:152.23
XLogP3:2.3
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:152.120115130
Monoisotopic Mass:152.120115130
Topological Polar Surface Area:17.1
Heavy Atom Count:11
Complexity:207
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: adrenochrome for sale; ipa sds; dmds; cefipime; natrium pentothal; toluene sds

Guide of 3-Thujanone

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

3-Thujanone

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.