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Home> Encyclopedia > Hot Product Listed 7   > 7H-Furo[3,2-g][1]benzopyran-7-one,9-[(3-methyl-2-buten-1-yl)oxy]-
482-44-0 structure

7H-Furo[3,2-g][1]benzopyran-7-one,9-[(3-methyl-2-buten-1-yl)oxy]-

CAS No.:482-44-0
EINECS(EC#): 207-581-1
Molecular Weight:270.27996
Molecular Formula:C16H14O4 (isomer)
Names and Identifiers
Synonyms

7H-Furo[3,2-g][1]benzopyran-7-one,9-[(3-methyl-2-butenyl)oxy]- (8CI,9CI) 8-ISOAMYLEN 8-ISOAMYLENOXYPSORALEN 8-Isopent-2-enyloxy-6,7-furanocoumarin 8-Isopentenyloxypsoralene 9-((3-methyl-2-butenyl)oxy)-7h-furo(3,2-g)(1)benzopyran-7-one 9-[(3-methyl-2-butenyl)oxy]-7h-furo[3,2-g][1]benzopyran-7-one AKOS 214-72 Ammidin IMPERATORIN Imperatorin (6CI) Marmelide Marmelosin NSC 402949

Inchi
InChI=1/C16H14O4/c1-10(2)5-7-19-16-14-12(6-8-18-14)9-11-3-4-13(17)20-15(11)16/h3-6,8-9H,7H2,1-2H3
InChkey
OLOOJGVNMBJLLR-UHFFFAOYSA-N
Canonical Smiles
CC(=CCOC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)C
Properties
Appearance
Offwhite powder
Density
1.242
Melting Point
98-100ºC
Boiling Point
448.3 °C at 760 mmHg
Vapour
3.13E-08mmHg at 25°C
Refractive Index
1.606
Flash Point
224.9 °C
Solubility
Soluble in chloroform
Color/Form
PRISMS FROM ETHER; LONG FINE NEEDLES FROM HOT WATER
CRYSTALS FROM ALCOHOL
Stability
No data.
HS Code
29419090
Storage temp
2-8°C
Spectral properties
MAX ABSORPTION: 302 NM (LOG E= 3.95), 265 NM (LOG E= 4.00), 250 NM (LOG E= 4.24)
Safety and Handling
Safety Statements
24/25
Safety

Moderately toxic by parenteral route. Human mutation data reported. When heated to decomposition it emits acrid smoke and fumes.

Toxicity
1.    

cyt-hmn:lym 10 mg/L

    MUREAV    Mutation Research. 169 (1986),51.
2.    

sce-hmn:lym 20 mg/L

    MUREAV    Mutation Research. 169 (1986),51.
3.    

par-mus LDLo:600 mg/kg

    CBCCT*    “Summary Tables of Biological Tests” National Research Council Chemical-Biological Coordination Center. 7 (1955),689.
Formulations/Preparations
DECOCTION (5%), INFUSION (8%), DISTILLATE (IN 55% ETHANOL), AND TINCTURE (20% IN 60% ETHANOL). /IMPERATORIA/
Exposure Standards and Regulations
FDA 121.1163. IN ALCOHOLIC BEVERAGES ONLY. /IMPERATORIA/
Specification

 Imperatorin ,its cas register number is 482-44-0. It also can be called 8-Isoamylenoxypsoralen ; 9-(3-Methylbut-2-enyloxy)-7H-furo(3,2-g)chromen-7-one and 7H-Furo(3,2-g)(1)benzopyran-7-one, 9-((3-methyl-2-butenyl)oxy)- . It is a furocoumarin and a phytochemical that has been isolated from Urena lobata L.

MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Skin irritation, Category 2

Skin sensitization, Category 1

Eye irritation, Category 2

Specific target organ toxicity \u2013 single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

H315 Causes skin irritation

H317 May cause an allergic skin reaction

H319 Causes serious eye irritation

H335 May cause respiratory irritation

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P272 Contaminated work clothing should not be allowed out of the workplace.

P271 Use only outdoors or in a well-ventilated area.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

P302+P352 IF ON SKIN: Wash with plenty of water/...

P321 Specific treatment (see ... on this label).

P332+P313 If skin irritation occurs: Get medical advice/attention.

P362+P364 Take off contaminated clothing and wash it before reuse.

P333+P313 If skin irritation or rash occurs: Get medical advice/attention.

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P337+P313 If eye irritation persists: Get medical advice/attention.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.

Storage

P403+P233 Store in a well-ventilated place. Keep container tightly closed.

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Precursor and Product
Computational chemical data
  • Molecular Weight:270.27996g/mol
  • Molecular Formula:C16H14O4
  • XLogP3-AA:3.4
  • Exact Mass:270.089209
  • Monoisotopic Mass:270.089209
  • Complexity:436
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:48.7
  • Heavy Atom Count:20
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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  • Tel:86-571-88938639
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  • Tel:86-571-87396430
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  • Tel:86-371-86658258
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  • Tel:86-28-85249238
  • Fax:86-28-85377358
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