CAS 3697-24-3|5-Methylchrysene

Introduction：Basic information about CAS 3697-24-3|5-Methylchrysene, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

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

Common Name	5-Methylchrysene
CAS Number	3697-24-3	Molecular Weight	242.314
Density	1.2±0.1 g/cm3	Boiling Point	449.4±12.0 °C at 760 mmHg
Molecular Formula	C₁₉H₁₄	Melting Point	117.5ºC
MSDS	USA	Flash Point	217.8±13.7 °C
Symbol	GHS08	Signal Word	Danger

Names

Name	5-Methyl Chrysene
Synonym	More Synonyms

Chemical & Physical Properties

Density	1.2±0.1 g/cm3
Boiling Point	449.4±12.0 °C at 760 mmHg
Melting Point	117.5ºC
Molecular Formula	C₁₉H₁₄
Molecular Weight	242.314
Flash Point	217.8±13.7 °C
Exact Mass	242.109543
LogP	6.37
Vapour Pressure	0.0±0.5 mmHg at 25°C
Index of Refraction	1.748
InChIKey	GOHBXWHNJHENRX-UHFFFAOYSA-N
SMILES	Cc1cc2ccccc2c2ccc3ccccc3c12
Storage condition	2-8°C

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: GC1575000

CHEMICAL NAME :: Chrysene, 5-methyl-

CAS REGISTRY NUMBER :: 3697-24-3

BEILSTEIN REFERENCE NO. :: 2048519

LAST UPDATED :: 199612

DATA ITEMS CITED :: 15

MOLECULAR FORMULA :: C19-H14

MOLECULAR WEIGHT :: 242.33

WISWESSER LINE NOTATION :: L E6 B666J C1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 32 ug/kg

TOXIC EFFECTS :: Tumorigenic - Carcinogenic by RTECS criteria Skin and Appendages - tumors

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 20 mg/kg/20W-I

TOXIC EFFECTS :: Tumorigenic - Carcinogenic by RTECS criteria Tumorigenic - tumors at site of application

TYPE OF TEST :: TD - Toxic dose (other than lowest)

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 40 mg/kg/30W-I

TOXIC EFFECTS :: Tumorigenic - neoplastic by RTECS criteria Skin and Appendages - tumors

TYPE OF TEST :: TD - Toxic dose (other than lowest)

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 80 mg/kg

TOXIC EFFECTS :: Tumorigenic - equivocal tumorigenic agent by RTECS criteria Lungs, Thorax, or Respiration - tumors Tumorigenic - tumors at site of application

TYPE OF TEST :: TD - Toxic dose (other than lowest)

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 40 mg/kg/30W-I

TOXIC EFFECTS :: Tumorigenic - neoplastic by RTECS criteria Skin and Appendages - tumors

TYPE OF TEST :: TD - Toxic dose (other than lowest)

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 132 mg/kg/11W-I

TOXIC EFFECTS :: Tumorigenic - equivocal tumorigenic agent by RTECS criteria Skin and Appendages - tumors Tumorigenic - tumors at site of application

TYPE OF TEST :: DNA adduct

MUTATION DATA

TEST SYSTEM :: Rodent - mouse

DOSE/DURATION :: 50 mg/kg

REFERENCE :: CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House, Southfield Road, Eynsham, Oxford OX8 1JJ, UK) V.1- 1980- Volume(issue)/page/year: 15,2613,1994 *** REVIEWS *** IARC Cancer Review:Animal Sufficient Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 32,379,1983 IARC Cancer Review:Human No Adequate Data IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 32,379,1983 IARC Cancer Review:Group 2B IMSUDL IARC Monographs, Supplement. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) No.1- 1979- Volume(issue)/page/year: 7,56,1987

Safety Information

Symbol	GHS08
Signal Word	Danger
Hazard Statements	H350
Precautionary Statements	P201-P202-P281-P308 + P313-P405-P501
Hazard Codes	Xn,N
Risk Phrases	22-50/53-40
Safety Phrases	60-61-36/37
RIDADR	NONH for all modes of transport
HS Code	2902909090

Customs

HS Code	2902909090
Summary	2902909090 other aromatic hydrocarbons。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:2.0%。General tariff:30.0%

Articles27

QSPR modeling of octanol/water partition coefficient for vitamins by optimal descriptors calculated with SMILES.

Eur. J. Med. Chem. 43 , 714-40, (2008)

Simplified molecular input line entry system (SMILES) has been utilized in constructing quantitative structure-property relationships (QSPR) for octanol/water partition coefficient of vitamins and org...

Polycyclic aromatic hydrocarbons: 15 Listings - benz[a]anthracene, benzo[b]fluoranthene, benzo[j]fluoranthene, benzo[k]fluoranthene, benzo[a]pyrene, dibenz[a,h]acridine, dibenz[a,j]acridine, dibenz[a,h]anthracene, 7H-dibenzo[c,g]carbazole, dibenzo[a,e]pyrene, dibenzo[a,h]pyrene, dibenzo[a,i]pyrene, dibenzo[a,l]pyrene, indeno[1,2,3-cd]pyrene, 5-methylchrysene.

Rep. Carcinog. 12 , 353-61, (2011)

TET1 controls CNS 5-methylcytosine hydroxylation, active DNA demethylation, gene transcription, and memory formation.

Neuron 79(6) , 1086-93, (2013)

Dynamic changes in 5-methylcytosine (5mC) have been implicated in the regulation of gene expression critical for consolidation of memory. However, little is known about how these changes in 5mC are re...

Synonyms

5-Methylchrysene

Chrysene, 5-methyl-

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