CAS 515-69-5|alpha-Bisabolol

Introduction：Basic information about CAS 515-69-5|alpha-Bisabolol, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. alpha-Bisabolol BiologicalActivity
3. Chemical & Physical Properties
4. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
5. Safety Information
6. Customs
7. Synonyms

Common Name	alpha-Bisabolol
CAS Number	515-69-5	Molecular Weight	222.366
Density	0.9±0.1 g/cm3	Boiling Point	314.5±11.0 °C at 760 mmHg
Molecular Formula	C₁₅H₂₆O	Melting Point	/
MSDS	/	Flash Point	113.2±15.6 °C

Names

Name	alpha-Bisabolol
Synonym	More Synonyms

alpha-Bisabolol BiologicalActivity

Description	alpha-Bisabolol is a nontoxic sesquiterpene alcohol present in natural essential oil, with anticancer activity. alpha-Bisabolol exerts selective anticancer effect on A549 NSCLC cells (IC50=15 μM) via induction of cell cycle arrest, mitochondrial apoptosis and inhibition of PI3K/Akt signalling pathways. alpha-Bisabolol also strongly induces apoptosis in glioma cells[1][2].
Related Catalog	Signaling Pathways >>Apoptosis >>ApoptosisResearch Areas >>Cancer
References	[1]. Wu S, et al. Anticancer effects of α-Bisabolol in human non-small cell lung carcinoma cells are mediated via apoptosis induction, cell cycle arrest, inhibition of cell migration and invasion and upregulation of P13K/AKT signalling pathway. J BUON. 2018 Sep-Oct;23(5):1407-1412. [2]. Cavalieri E, et al. alpha-Bisabolol, a nontoxic natural compound, strongly induces apoptosis in glioma cells. Biochem Biophys Res Commun. 2004 Mar 12;315(3):589-94.

Description

alpha-Bisabolol is a nontoxic sesquiterpene alcohol present in natural essential oil, with anticancer activity. alpha-Bisabolol exerts selective anticancer effect on A549 NSCLC cells (IC50=15 μM) via induction of cell cycle arrest, mitochondrial apoptosis and inhibition of PI3K/Akt signalling pathways. alpha-Bisabolol also strongly induces apoptosis in glioma cells[1][2].

Related Catalog

Signaling Pathways >>Apoptosis >>ApoptosisResearch Areas >>Cancer

References

[1]. Wu S, et al. Anticancer effects of α-Bisabolol in human non-small cell lung carcinoma cells are mediated via apoptosis induction, cell cycle arrest, inhibition of cell migration and invasion and upregulation of P13K/AKT signalling pathway. J BUON. 2018 Sep-Oct;23(5):1407-1412.

[2]. Cavalieri E, et al. alpha-Bisabolol, a nontoxic natural compound, strongly induces apoptosis in glioma cells. Biochem Biophys Res Commun. 2004 Mar 12;315(3):589-94.

Chemical & Physical Properties

Density	0.9±0.1 g/cm3
Boiling Point	314.5±11.0 °C at 760 mmHg
Molecular Formula	C₁₅H₂₆O
Molecular Weight	222.366
Flash Point	113.2±15.6 °C
Exact Mass	222.198364
PSA	20.23000
LogP	5.07
Vapour Pressure	0.0±1.5 mmHg at 25°C
Index of Refraction	1.494
InChIKey	RGZSQWQPBWRIAQ-LOACHALJSA-N
SMILES	CC(C)=CCCC(C)(O)C1CC=C(C)CC1
Stability	Stable. Combustible. Incompatible with strong oxidizing agents.

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: MJ9685000

CHEMICAL NAME :: 5-Hepten-2-ol, 6-methyl-2-(4-methyl-3-cyclohexen-1-yl)-

CAS REGISTRY NUMBER :: 515-69-5

LAST UPDATED :: 199709

DATA ITEMS CITED :: 4

MOLECULAR FORMULA :: C15-H26-O

MOLECULAR WEIGHT :: 222.41

WISWESSER LINE NOTATION :: L6UTJ A1 DXQ1&3UY1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 14850 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 19,615,1969

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 11350 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 19,615,1969 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X1661 No. of Facilities: 357 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 3923 (estimated) No. of Female Employees: 2853 (estimated)

Safety Information

Risk Phrases	R33
RIDADR	3439.0
WGK Germany	2
RTECS	MJ9685000
Hazard Class	6.1
HS Code	29061900

Customs

HS Code	29061900

Synonyms

MFCD03846910

rel-(2R)-6-Methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-ol

3-Cyclohexene-1-methanol, α,4-dimethyl-α-(4-methyl-3-penten-1-yl)-, (αR,1R)-

)-α-Bisabolol

a-Bisabolol

α-Bisabolol

3-Cyclohexene-1-methanol, α,4-dimethyl-α-(4-methyl-3-pentenyl)-, (αR,1R)-rel-

dl-a-Bisabolol

(+/-)-α-Bisabolol

(2R)-6-Methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-ol

6-Methyl-2-(4-methyl-3-cyclohexen-1-yl)-5-hepten-2-ol

EINECS 208-205-9

(2R)-6-Methyl-2-[(1R)-4-methyl-3-cyclohexen-1-yl]-5-hepten-2-ol

Dragosantol

(R*,R*)-6-Dethyl-2-(4-methyl-3-cyclohexen-1-yl)-5-Hepten-2-ol

(±)-a-Bisabolol

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