CAS 81-54-9|purpurin

Introduction：Basic information about CAS 81-54-9|purpurin, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. purpurin BiologicalActivity
3. Chemical & Physical Properties
4. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
MUTATION DATA
5. Safety Information
6. Customs
7. Articles29
8. Synonyms

Common Name	purpurin
CAS Number	81-54-9	Molecular Weight	256.210
Density	1.7±0.1 g/cm3	Boiling Point	525.1±45.0 °C at 760 mmHg
Molecular Formula	C₁₄H₈O₅	Melting Point	253-256ºC(lit.)
MSDS	USA	Flash Point	285.4±25.2 °C
Symbol	GHS07	Signal Word	Warning

Names

Name	purpurin
Synonym	More Synonyms

purpurin BiologicalActivity

Description	Purpurin is a natural anthraquinone compound from Rubia tinctorum L.. Purpurin has antidepressant-like effects[1].
Related Catalog	Signaling Pathways >>Others >>OthersResearch Areas >>Neurological Disease
In Vivo	Purpurin (Orally; 2, 6, 18 mg/kg for 3 weeks) exerts dose-dependently antidepressant-like effects on behavior and stress axis reactivity in adult male C57BL/6J mice (6-7 weeks old upon arrival)[1].
References	[1]. Ma L, et al. Purpurin exerted antidepressant-like effects on behavior and stress axis reactivity: evidence of serotonergic engagement. Psychopharmacology (Berl). 2020 Mar;237(3):887-899.

Chemical & Physical Properties

Density	1.7±0.1 g/cm3
Boiling Point	525.1±45.0 °C at 760 mmHg
Melting Point	253-256ºC(lit.)
Molecular Formula	C₁₄H₈O₅
Molecular Weight	256.210
Flash Point	285.4±25.2 °C
Exact Mass	256.037170
PSA	94.83000
LogP	4.60
Appearance of Characters	Powder
Vapour Pressure	0.0±1.4 mmHg at 25°C
Index of Refraction	1.773
InChIKey	BBNQQADTFFCFGB-UHFFFAOYSA-N
SMILES	O=C1c2ccccc2C(=O)c2c(O)c(O)cc(O)c21
Storage condition	2-8C

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: CB8200000

CHEMICAL NAME :: Anthraquinone, 1,2,4-trihydroxy-

CAS REGISTRY NUMBER :: 81-54-9

BEILSTEIN REFERENCE NO. :: 1887127

LAST UPDATED :: 199612

DATA ITEMS CITED :: 6

MOLECULAR FORMULA :: C14-H8-O5

MOLECULAR WEIGHT :: 256.22

WISWESSER LINE NOTATION :: L C666 BV IVJ DQ EQ GQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration into the eye

SPECIES OBSERVED :: Rodent - rabbit

TYPE OF TEST :: LD - Lethal dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >500 mg/kg

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

MUTATION DATA

TYPE OF TEST :: Mutation in mammalian somatic cells

TEST SYSTEM :: Rodent - hamster Lung

DOSE/DURATION :: 20 mg/L

REFERENCE :: MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 240,1,1990

Safety Information

Symbol	GHS07
Signal Word	Warning
Hazard Statements	H315-H319-H335
Precautionary Statements	P261-P305 + P351 + P338
Personal Protective Equipment	dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes	Xi: Irritant;
Risk Phrases	R36/37/38
Safety Phrases	S26;S36
RIDADR	NONH for all modes of transport
WGK Germany	3
RTECS	CB8200000
HS Code	2914690090

Customs

HS Code	2914690090
Summary	2914690090 other quinones。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

Articles29

Structural and optical properties of Purpurin for dye-sensitized solar cells.

Spectrochim. Acta. A. Mol. Biomol. Spectrosc. 149 , 997-1008, (2015)

In this work, we reported a combined experimental and theoretical study on molecular structure, vibrational spectra and Homo-Lumo analysis of Purpurin and TiO2/Purpurin. The geometries, electronic str...

Protection against the bacterial mutagenicity of heterocyclic amines by purpurin, a natural anthraquinone pigment.

Mutat. Res. 444(2) , 451-61, (1999)

Purpurin (1,2,4-trihydroxy-9,10-anthraquinone) is a naturally occurring anthraquinone pigment found in species of madder root. We have found that the presence of purpurin in bacterial mutagenicity ass...

Toxicity and tumorigenicity of purpurin, a natural hydroxanthraquinone in rats: induction of bladder neoplasms.

Cancer Lett. 102(1-2) , 193-8, (1996)

Chronic toxicity and tumorigenicity of purpurin, a natural hydroxyanthraquinone, was examined in two groups of male F344 rats. One group was given a basal diet mixed with purpurin at a concentration o...

Synonyms

EINECS 201-359-8

Verantin

Purpurin

1,2,4-Trihydroxy-9,10-anthracenedione

C.I. Natural Red 16

natural red 16

1,2,4-Trihydroxy-9,10-anthraquinone

9,10-Anthracenedione, 1,2,4-trihydroxy-

Purpurine

C.I. Natural Red 8

1,2,4-trihydroxyanthracene-9,10-dione

1,2,4-trishydroxy-9,10-anthraquinone

1,2,4-Trihydroxyanthraquinone

Smoke Brown G

MFCD00001203

Hydroxylizaric acid

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