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6753-98-6

6753-98-6 structure
6753-98-6 structure
  • Name: Alpha-caryophyllene
  • Chemical Name: (1E,4E,8E)-α-humulene
  • CAS Number: 6753-98-6
  • Molecular Formula: C15H24
  • Molecular Weight: 204.35100
  • Catalog: Biochemical Plant extracts
  • Create Date: 2018-05-22 08:00:00
  • Modify Date: 2024-01-04 12:56:49
  • 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].

Name (1E,4E,8E)-α-humulene
Synonyms (1E,4E,8E)-alpha-humulene
EINECS 229-816-7
α-Caryophyllene
MFCD00042689
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].
Related Catalog
Target

COX-2

iNOS

In Vitro The cytotoxicity of α-Humulene against human lung carcinoma A549, colon adenocarcinoma DLD-1, skin fibroblasts WS1 cell lines is 28±1, 43±3, and 24±3 µg/mL, respetctively[1].
References

[1]. Coté H, et al. Anti-Inflammatory, Antioxidant, Antibiotic, and Cytotoxic Activities of Tanacetum vulgare L. Essential Oil and Its Constituents. Medicines (Basel). 2017 May 25;4(2). pii: E34.

Density 0.889 g/mL at 20 °C(lit.)
Boiling Point 166-168 °C(lit.)
Molecular Formula C15H24
Molecular Weight 204.35100
Flash Point 90°C
Exact Mass 204.18800
LogP 5.03540
Index of Refraction n20/D 1.503(lit.)
Storage condition 2-8°C

CHEMICAL IDENTIFICATION

RTECS NUMBER :
GZ4817500
CHEMICAL NAME :
1,4,8-Cycloundecatriene, 2,6,6,9-tetramethyl-, (E,E,E)-
CAS REGISTRY NUMBER :
6753-98-6
BEILSTEIN REFERENCE NO. :
3240075
LAST UPDATED :
199701
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C15-H24

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Intratracheal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>48 mg/kg
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - pulmonary emboli
REFERENCE :
ARTODN Archives of Toxicology. (Springer-Verlag, Heidelberger Pl. 3, D-1000 Berlin 33, Fed. Rep. Ger.) V.32- 1974- Volume(issue)/page/year: 59,78,1986
Symbol GHS07
GHS07
Signal Word Warning
Hazard Statements H315-H319-H335
Precautionary Statements P261-P305 + P351 + P338
Personal Protective Equipment Eyeshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes Xi
Risk Phrases 36/37/38
Safety Phrases S26-S36
RIDADR NA 1993 / PGIII
WGK Germany 3
RTECS GZ4817500
HS Code 2902199090
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%