CAS 119-84-6|Dihydrocoumarin

Introduction：Basic information about CAS 119-84-6|Dihydrocoumarin, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Dihydrocoumarin BiologicalActivity
3. Chemical & Physical Properties
4. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
5. Safety Information
6. Customs
7. Articles22
8. Synonyms

Common Name	Dihydrocoumarin
CAS Number	119-84-6	Molecular Weight	148.159
Density	1.2±0.1 g/cm3	Boiling Point	272.0±15.0 °C at 760 mmHg
Molecular Formula	C₉H₈O₂	Melting Point	24-25 °C(lit.)
MSDS	ChineseUSA	Flash Point	108.4±17.8 °C
Symbol	GHS07	Signal Word	Warning

Names

Name	3,4-dihydrocoumarin
Synonym	More Synonyms

Dihydrocoumarin BiologicalActivity

Description	Dihydrocoumarin is a compound found in Melilotus officinalis. Dihydrocoumarin is a yeast Sir2p inhibitor. Dihydrocoumarin also inhibits human SIRT1 and SIRT2 with IC50s of 208 μM and 295 μM, respectively[1].
Related Catalog	Signaling Pathways >>Cell Cycle/DNA Damage >>SirtuinSignaling Pathways >>Epigenetics >>SirtuinNatural Products >>PhenylpropanoidsResearch Areas >>Cancer
Target	hSIRT1:208 μM (IC50) hSIRT2:295 μM (IC50)
In Vitro	Dihydrocoumarin induces a concentration-dependent inhibition of SIRT1 (IC50 of 208 μM) in an in vitro enzymatic assay. A decrease in SIRT1 deacetylase activity is observed even at micromolar doses (85±5.8 and 73±13.7% activity at 1.6 μM and 8 μM, respectively). The microtubule SIRT2 deacetylase is also inhibited with a similar dose dependency (IC50 of 295 μM)[1]. Dihydrocoumarin (1-5 mM) increases cytotoxicity in the TK6 cell line in a dose-dependent manner following a 24-h exposure. Dihydrocoumarin (1-5 mM) increases apoptosis in a dose-dependent manner in the TK6 cell line at the 6-h time point. A 5-mM dose of Dihydrocoumarin increases apoptosis at the 6-h time point in the TK6 cell line[1]. Dihydrocoumarin (1-5 mM) increases p53 lysine 373 and 382 acetylation in a dose-dependent manner in the TK6 cell line following a 24-h exposure period[1].
References	[1]. Olaharski AJ, et al. The flavoring agent Dihydrocoumarin reverses epigenetic silencing and inhibits sirtuindeacetylases. PLoS Genet. 2005 Dec;1(6):e77.

Chemical & Physical Properties

Density	1.2±0.1 g/cm3
Boiling Point	272.0±15.0 °C at 760 mmHg
Melting Point	24-25 °C(lit.)
Molecular Formula	C₉H₈O₂
Molecular Weight	148.159
Flash Point	108.4±17.8 °C
Exact Mass	148.052429
PSA	26.30000
LogP	1.80
Vapour Pressure	0.0±0.6 mmHg at 25°C
Index of Refraction	1.562
InChIKey	VMUXSMXIQBNMGZ-UHFFFAOYSA-N
SMILES	O=C1CCc2ccccc2O1
Water Solubility	insoluble

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: MW5775000

CHEMICAL NAME :: Hydrocoumarin

CAS REGISTRY NUMBER :: 119-84-6

BEILSTEIN REFERENCE NO. :: 0004584

LAST UPDATED :: 199710

DATA ITEMS CITED :: 18

MOLECULAR FORMULA :: C9-H8-O2

MOLECULAR WEIGHT :: 148.17

WISWESSER LINE NOTATION :: T66 BOVT&J

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 12,521,1974

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - guinea pig

REFERENCE :: JSCCA5 Journal of the Society of Cosmetic Chemists. (Soc. of Cosmetic Chemists, 1995 Broadway, Suite 1701, New York, NY 10023) V.1- 1947- Volume(issue)/page/year: 28,357,1977 ** ACUTE TOXICITY DATA **

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 1460 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity)

REFERENCE :: FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 2,327,1964

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 200 mg/kg

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

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD277-689

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 :: FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 12,521,1974

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: 1760 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity)

REFERENCE :: FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 2,327,1964 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 18 gm/kg/16D-I

TOXIC EFFECTS :: Related to Chronic Data - death

REFERENCE :: NTPTR* National Toxicology Program Technical Report Series. (Research Triangle Park, NC 27709) No.206- Volume(issue)/page/year: NTP-TR-423,1993

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 19500 mg/kg/13W-I

TOXIC EFFECTS :: Liver - other changes Blood - changes in erythrocyte (RBC) count Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - true cholinesterase

REFERENCE :: NTPTR* National Toxicology Program Technical Report Series. (Research Triangle Park, NC 27709) No.206- Volume(issue)/page/year: NTP-TR-423,1993

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 27 gm/kg/16D-I

TOXIC EFFECTS :: Related to Chronic Data - death

REFERENCE :: NTPTR* National Toxicology Program Technical Report Series. (Research Triangle Park, NC 27709) No.206- Volume(issue)/page/year: NTP-TR-423,1993

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 104 gm/kg/13W-I

TOXIC EFFECTS :: Liver - changes in liver weight Related to Chronic Data - death

REFERENCE :: NTPTR* National Toxicology Program Technical Report Series. (Research Triangle Park, NC 27709) No.206- Volume(issue)/page/year: NTP-TR-423,1993 ** TUMORIGENIC DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 433 gm/kg/2Y-I

TOXIC EFFECTS :: Tumorigenic - neoplastic by RTECS criteria Kidney, Ureter, Bladder - Kidney tumors

REFERENCE :: NTPTR* National Toxicology Program Technical Report Series. (Research Triangle Park, NC 27709) No.206- Volume(issue)/page/year: NTP-TR-423,1993

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 144 gm/kg/2Y-I

TOXIC EFFECTS :: Tumorigenic - neoplastic by RTECS criteria Liver - tumors

REFERENCE :: NTPTR* National Toxicology Program Technical Report Series. (Research Triangle Park, NC 27709) No.206- Volume(issue)/page/year: NTP-TR-423,1993 *** REVIEWS *** TOXICOLOGY REVIEW PMDCAY Progress in Medical Chemistry. (Elsevier Science Pub. Co., Inc., 52 Vanderbilt Ave., New York, NY 10017) V.1- 1961- Volume(issue)/page/year: 10,85,1974 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 83169 No. of Facilities: 21 (estimated) No. of Industries: 1 No. of Occupations: 2 No. of Employees: 456 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 83169 No. of Facilities: 65 (estimated) No. of Industries: 3 No. of Occupations: 8 No. of Employees: 2054 (estimated) No. of Female Employees: 276 (estimated)

Safety Information

Symbol	GHS07
Signal Word	Warning
Hazard Statements	H302-H315-H319-H335
Precautionary Statements	P261-P305 + P351 + P338
Personal Protective Equipment	Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes	Xn:Harmful;
Risk Phrases	R22;R36/37/38
Safety Phrases	S26-S36
RIDADR	NONH for all modes of transport
WGK Germany	3
RTECS	MW5775000
HS Code	29322980

Customs

HS Code	2932209090
Summary	2932209090. other lactones. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Articles22

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Synonyms

Dihydrocoumarin

MFCD00006881

2-Chromanone

EINECS 204-354-9

2H-1-Benzopyran-2-one, 3,4-dihydro-

3,4-Dihydro-1-benzopyran-2-one,Benzodihydropyrone,Hydrocou

3,4-dihydrochromen-2-one

3,4-Dihydrocoumarin

Hydrocoumarin

chroman-2-one

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