CAS 515-03-7|Sclareol

Introduction：Basic information about CAS 515-03-7|Sclareol, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Sclareol BiologicalActivity
3. Chemical & Physical Properties
4. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
5. Safety Information
6. Customs
7. Articles27
8. Synonyms

Common Name	Sclareol
CAS Number	515-03-7	Molecular Weight	308.499
Density	1.0±0.1 g/cm3	Boiling Point	398.3±15.0 °C at 760 mmHg
Molecular Formula	C₂₀H₃₆O₂	Melting Point	95-100 °C(lit.)
MSDS	ChineseUSA	Flash Point	169.1±15.0 °C

Names

Name	sclareol
Synonym	More Synonyms

Sclareol BiologicalActivity

Description	Sclareol is isolated from Salvia sclarea with anticarcinogenic activity. Sclareol shows strong cytotoxic activity against mouse leukemia (P-388), human epidermal carcinoma (KB) cells and human leukemia cell lines. Sclareol induces cell apoptosis[1].
Related Catalog	Signaling Pathways >>Apoptosis >>ApoptosisResearch Areas >>Cancer
In Vitro	Sclareol is cytotoxic to 13 of 14 human leukemia cell lines tested, with IC50 values ranging from 6.0–24.2 μg/mL, but is not cytotoxic to peripheral blood mononuclear leukocytes within the same dose range[1].
References	[1]. Robert Tisserand, et al. Sclareol.Constituent profiles

Chemical & Physical Properties

Density	1.0±0.1 g/cm3
Boiling Point	398.3±15.0 °C at 760 mmHg
Melting Point	95-100 °C(lit.)
Molecular Formula	C₂₀H₃₆O₂
Molecular Weight	308.499
Flash Point	169.1±15.0 °C
Exact Mass	308.271515
PSA	40.46000
LogP	5.54
Vapour Pressure	0.0±2.1 mmHg at 25°C
Index of Refraction	1.490
InChIKey	XVULBTBTFGYVRC-HHUCQEJWSA-N
SMILES	C=CC(C)(O)CCC1C(C)(O)CCC2C(C)(C)CCCC21C
Storage condition	2-8C

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: QK0301900

CHEMICAL NAME :: 1-Naphthalenepropanol, decahydro-alpha-ethenyl-2-hydroxy-alpha,2,5,5,8a-pent amethyl-, (1R-(1-alpha(R*),2-beta,4a-beta,8a-alpha))-

CAS REGISTRY NUMBER :: 515-03-7

BEILSTEIN REFERENCE NO. :: 2054148

LAST UPDATED :: 199701

DATA ITEMS CITED :: 3

MOLECULAR FORMULA :: C20-H36-O2

MOLECULAR WEIGHT :: 308.56

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 :: >5 gm/kg

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

REFERENCE :: FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 30,115S,1992

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

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: >5 gm/kg

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

REFERENCE :: FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 30,115S,1992

Safety Information

Personal Protective Equipment	Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
RIDADR	NONH for all modes of transport
WGK Germany	2
RTECS	QK0301900
HS Code	2906199090

Customs

HS Code	2906199090
Summary	2906199090. cyclanic, cyclenic or cyclotherpenic alcohols. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%

Articles27

Parallel dual secondary column-dual detection: a further way of enhancing the informative potential of two-dimensional comprehensive gas chromatography.

J. Chromatogr. A. 1360 , 264-74, (2014)

Comprehensive two-dimensional gas chromatography (GC×GC) coupled with Mass Spectrometry (MS) is one of today's most powerful analytical platforms for detailed analysis of medium-to-high complexity sam...

Labdane diterpenoids from Salvia reuterana.

Phytochemistry 108 , 264-9, (2014)

Three labdane diterpenoids, 14α-hydroxy-15-chlorosclareol (1), 14α-hydroxy-15-acetoxysclareol (2), and 6β-hydroxy-14α-epoxysclareol (3), together with the known diterpenoids sclareol (4), 6β-hydroxysc...

Isolation, chemical, and biotransformation routes of labdane-type diterpenes.

Chem. Rev. 111(8) , 4418-52, (2011)

Synonyms

(1R,2R,4aS,8aS)-1-[(3R)-3-Hydroxy-3-methyl-4-penten-1-yl]-2,5,5,8a-tetramethyldecahydro-2-naphthalenol

(1R,2R,4aS,8aS)-1-[(3R)-3-Hydroxy-3-methylpent-4-en-1-yl]-2,5,5,8a-tetramethyldecahydronaphthalen-2-ol

SCLAREOL(RG)

EINECS 208-194-0

1-Naphthalenepropanol, α-ethenyldecahydro-2-hydroxy-α,2,5,5,8a-pentamethyl-, (αR,1R,2R,4aS,8aS)-

Labd-14-ene-8,13-diol, (13R)-

SCIADONIC ACID

(1R,2R,8aS)-Decahydro-1-(3-hydroxy-3-methyl-4-pentenyl)-2,5,5,8a-tetramethyl-2-naphthol

labd-14-ene-8,13(R)-diol

MFCD00869558

SCLAREOL,NATURAL

SCAREOL

Sclareol

(-)-sclareol

SCLAREOL(P)

(1R,2R,4aS,8aS)-1-[(3R)-3-Hydroxy-3-méthyl-4-pentèn-1-yl]-2,5,5,8a-tétraméthyldécahydro-2-naphtalénol

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