Basic information
- CAS
644-30-4- Standard SMILES
CC(C)=CCCC(C)c1ccc(C)cc1- InChIKey
VMYXUZSZMNBRCN-UHFFFAOYSA-N- Molecular formula
- C15H22
- Average molar mass
- 202.33 g/mol
- Monoisotopic mass
- 202.1721507
Overview
Alpha-curcumene is a sesquiterpene that is 2-methyl-2-heptene in which one of the hydrogens at position 6 is substituted by a p-tolyl group.
Names & identifiers
- Preferred name
- Curcumene
- IUPAC
- 1-methyl-4-(6-methylhept-5-en-2-yl)benzene
- English name
- α-curcumene
- Molecular formula
- C15H22
- Molecular weight
- 202.34
Names & synonyms
alpha-CurcumeneCurcumene644-30-41-methyl-4-(6-methylhept-5-en-2-yl)benzeneBenzene, 1-(1,5-dimethyl-4-hexenyl)-4-methyl-S24T013WOFCHEBI:62757RefChem:555453Ar-Curcumene2-Methyl-6-p-tolyl-2-heptene1-(1,5-Dimethyl-4-hexenyl)-4-methylbenzenearyl-curcumene
Show more names
α-curcumeneα-curcumene(-)-α-Curcumene1,3,5,10-BisabolatetraeneBENZENE,1-(1,5-DIMETHYL-4-HEX2-(4-Methylphenyl)-6-methyl-5-heptene1-Methyl-4-((S)-6-methylhept-5-en-2-yl)-benzene
alpha-Cucurmene2-Heptene, 2-methyl-6-p-tolyl-aromatic curcumene.alpha.-CurcumeneUNII-S24T013WOF?-curcumene??-curcumeneDTXSID90862351
Database identifiers
- CAS
644-30-4- PubChem CID
- 92139
- DTXSID
DTXSID90862351- ChEMBL
CHEMBL4210821
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 190
Experimental & physicochemical properties
FragrancesFragrance
Physicochemical properties
- Boiling point
- 275.47 °C · 275.47°C (estimate)
- Density
- 0.8805 · 0.8805
- refractive index
- 1.4989 · 1.4989
- Odor
- herbal
- LogP
- 6.018 · 6.018 (est)
- FDA UNII
- 24 T013WOF · S24T013WOF
- Symbol(GHS)
- 8 · GHS08,GHS07
- Signal word
- Danger
- Hazard statements
- 304 · H304-H317-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Safety & regulation
GHS classification
GHS Classification
Danger
H304 (100%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]
P261, P264, P272, P280, P301+P316, P302+P352, P321, P331, P332+P317, P333+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAsp. Tox. 1 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS08,GHS07
- Hazard statements
- H304-H317-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Applications
Usesα-curcumene (compound 12) is isolated from the essential oil of rhizomes of Curcuma aromatica and can be synthesized artificially[1].
Upstream & downstream products
Downstream products
Suppliers36 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
成都普瑞法科技开发有限公司+86-028-82633397 18982077548 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
成都普睿法药物研发有限公司82633860 18982077548 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
湖北丹鼎医药科技有限公司17701422019 17701422019 · [email protected]
上海诗丹德标准技术服务有限公司
Related reactions
2 records
Compound notes
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