beta-elemene

Suppliers

Names

[ CAS No. ]:
515-13-9

[ Name ]:
beta-elemene

[Synonym ]:
(5S,7R,10S)-(-)-1-methyl-1-vinyl-2,4-diisopropenyl-cyclohexane
(1S,2S,4R)-1-methyl-1-vinyl-2,4-diisopropenylcyclohexane
C15 H24,Cyclohexan,1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)
(1S,2S,4R)-1-Ethenyl-1-methyl-2,4-bis(1-methylethenyl)cyclohexane

Chemical & Physical Properties

[ Density]:
0.862g/cm3

[ Boiling Point ]:
252.1ºC at 760mmHg

[ Molecular Formula ]:
C15H24

[ Molecular Weight ]:
204.35100

[ Flash Point ]:
98.3ºC

[ Exact Mass ]:
204.18800

[ LogP ]:
4.74720

[ Index of Refraction ]:
1.501

[ Storage condition ]:
2-8°C

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
GU9660000
CHEMICAL NAME :
Cyclohexane, 2,4-diisopropenyl-1-methyl-1-vinyl-, (1S,2R,4R)-(-)-
CAS REGISTRY NUMBER :
515-13-9
LAST UPDATED :
198303
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C15-H24
MOLECULAR WEIGHT :
204.39
WISWESSER LINE NOTATION :
L6TJ A1U1 A1 BY1&U1 DY1&U1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
279 mg/kg
TOXIC EFFECTS :
Tumorigenic - active as anti-cancer agent
REFERENCE :
CYTPDT Zhongyao Tongbao. Bulletin of Chinese Materia Medica. (China International Book Trading Corp., POB 2820, Beijing, Peop. Rep. China) V.1-13, 1955-88 Suspended 1960-80(?). For Publisher information, see ZZZAE3 Volume(issue)/page/year: 6(6),32,1981

Safety Information

[ Supplemental HS ]:
Repeated exposure may cause skin dryness or cracking.

[ Risk Phrases ]:
66

[ RIDADR ]:
NONH for all modes of transport

[ RTECS ]:
GU9660000

[ HS Code ]:
2902199090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 1,3-dimethyl-2-(((1S,2S,3S,6S)-3-methyl-2,6-di(prop-1-en-2-yl)-3-vinylcyclohexyl)oxy)-1,3,2-diazaphospholidine 2-oxide
  • (+)-germacrene A
  • Germacrone
  • [4S,(+)]-2-Isopropylidene-4β-isopropenyl-5α-vinyl-5-methylcyclohexanone
  • alpha-elemol
  • (1S)-1r-methyl-4c-(α-benzoyloxy-isopropyl)-1-vinyl-2c-isopropenyl-cyclohexane

DownStream

  • 1-methyl-2,4-di(propan-2-yl)benzene

Customs

[ HS Code ]: 2902199090

[ Summary ]:
2902199090 other cyclanes, cyclenes and cyclotherpenes。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:2.0%。General tariff:30.0%

Related Compounds

  • beta-elemene
  • beta-lactosyl azide
  • beta-caryophyllone
  • beta-d-Fructofuranose, 1,6-bis(dihydrogen phosphate), trisodium salt
  • beta-D-fructofuranosyl alpha-D-glucopyranoside, mono[3-(4-hydroxydec-1-enyl) 2-(2-hydroxyethyl) 9-hydrogen nonane-1,2,9-tricarboxylate]
  • beta-selinene
  • 3-Methoxy-2-methyl-2H-indazol-5-amine
  • 3-Methoxy-1H-indazol-4-amine
  • 2-(3-methyloxetan-3-yl)tetrahydro-2H-pyran-4-ol
  • 2-((2,4-Dichlorophenyl)(methyl)amino)acetic acid
  • 1-[4-(propan-2-yl)phenyl]-2,3-dihydro-1H-1,3-benzodiazol-2-one
  • 5-Ethyl-1,4-dimethyl-1h-pyrazole-3-carbaldehyde
  • 2-Bromo-5-methoxypyridin-3-ol
  • 1-(2-Nitrophenyl)-1H-1,2,3-triazole-5-carboxylicacid
  • 1-(4-Nitrophenyl)-1H-1,2,3-triazole-5-carboxylicacid
  • 5-[2-(Tert-butyl-dimethyl-silanyloxy)-1,1-dimethyl-ethyl]-4-chloro-6,7-dihydro-5h-pyrrolo[2,3-d]pyrimidin-2-ylamine
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