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Home> Encyclopedia > Hot Product Listed P   > phorbol
1150-62-5 structure

phorbol

Iupac Name:9-phenylcarbazole
CAS No.:1150-62-5
Molecular Weight:243.30252
Molecular Formula:C15H20O2 (isomer)
Names and Identifiers
Synonyms

,9,9a-decahydro-4a-alpha,7b-alpha,9-beta,9a-alpha-tetrahydroxy-3-(hydroxymethy ,9a-decahydro-4abeta,7balpha,9beta,9aalpha-tetrahydroxy-3-(hydroxymethyl)-1,1 4)benz(1,2-e)azulen-5-one,1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-5h-cyclopropa( 4,9,12-beta,13,20-pentahydroxy-1,6-tigliadien-3-on 4a,7b,9,9a-tetrahydroxy-3-(hydroxymethyl)-1,6,8-tetramethyl-,(1ar-(1aalpha,1b 4abeta,7aalpha,7balpha,8alpha,9beta,9aalpha))-et 4b,9a,12b,13a,20-pentahydroxytiglia-1,6-dien-3-one 4BETA,9ALPHA,12BETA,13ALPHA,20-PENTAHYDROXYTIGLIA-1,6-DIEN-3-ONE 4-beta-phorbol 5h-cyclopropa(3,4)benz(1,2-e)azulen-5-one,1,1aalpha,1bbeta,4,4a,7aalpha,7b,8,9 5h-cyclopropa(3,4)benz(1,2-e)azulen-5-one,1,1a-beta,1b-alpha,4,4a,7a-beta,7b,8 6,8-alpha-tetramethyl-l)-1 PHORBOL Phorbol-(3) Phorbol,Pentahydroxy-tigliadienon

Inchi
InChI=1/C18H13N/c1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19/h1-13H
InChkey
VIJYEGDOKCKUOL-UHFFFAOYSA-N
Canonical Smiles
C1=CC=C(C=C1)N2C3=CC=CC=C3C4=CC=CC=C42
Properties
Density
0.846
Melting Point
95-97 oC
Boiling Point
538.9°C at 760 mmHg
Vapour
4.16E-07mmHg at 25°C
Refractive Index
1.643
Flash Point
477.1°C
Solubility
QUITE SOL IN POLAR SOLVENTS, INCL WATER
Color/Form
ANHYDR CRYSTALS; 2 FORMS OF SOLVATED CRYSTALS FROM ETHYL ACETATE; SOLVATED CRYSTALS FROM METHANOL OR ETHANOL
Other physical and chemical properties
PHYSICAL DESCRIPTION: White solid. (NTP, 1992)
Stability
Phorbol; is unstable to prolonged exposure to air, light and ambient temperatures.
HS Code
29339900
Storage temp
−20°C
Spectral properties
SPECIFIC OPTICAL ROTATION (WATER): +102 DEG @ 24 DEG C/D; +118 DEG @ 20 DEG C/D (C= 0.4 IN DIOXANE)
MAX ABSORPTION (ETHANOL): 235 NM (E= 5200); 334 NM (E= 70)
Safety and Handling
Risk Statements
R37/38;R41
Safety Statements
26-39
Safety

Experimental reproductive effects. A skin irritant. Questionable carcinogen with experimental carcinogenic and tumorigenic data. When heated to decomposition it emits acrid smoke and irritating fumes.
Safety Information of Phorbol (CAS NO.17673-25-5):
Hazard Codes: T+
T+: Very Toxic
Risk Statements: 26/27/28-36/37/38
26/27/28: Very Toxic by inhalation, in contact with skin and if swallowed 
36/37/38: Irritating to eyes, respiratory system and skin  
Safety Statements: 26-27-36/37/39-45-28
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
27: Take off immediately all contaminated clothing 
36/37/39: Wear suitable protective clothing, gloves and eye/face protection 
45: In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) 
28: After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) 
RIDADR: UN 2811 6.1/PG 3
WGK Germany: 3
RTECS: GZ0600000
HazardClass: 6.1(b)
PackingGroup: III

Toxicity
1.    

skn-mus 36 mg MLD

    PLMEAA    Planta Medica. 22 (1972),241.
2.    

ipr-mus TDLo:400 mg/kg/25W:CAR

    CNREA8    Cancer Research. 30 (1970),2744.
Specification

 Phorbol (CAS NO.17673-25-5) is a natural, plant-derived organic compound. It is a member of the tigliane family of diterpenes. It was first isolated in 1934 as the hydrolysis product of croton oil, which is derived from the seeds of Croton tiglium. Phorbol's structure was determined in 1967 It is very soluble in most polar organic solvents, as well as in water.
 

Report

EPA Genetic Toxicology Program.

MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Serious eye damage, Category 1

Specific target organ toxicity – single exposure, Category 3

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H315 Causes skin irritation

H318 Causes serious eye damage

H335 May cause respiratory irritation

H413 May cause long lasting harmful effects to aquatic life

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

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

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

P273 Avoid release to the environment.

Response

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.

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

P310 Immediately call a POISON CENTER/doctor/…

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

P312 Call a POISON CENTER/doctor/…if 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

Computational chemical data
  • Molecular Weight:243.30252g/mol
  • Molecular Formula:C15H20O2
  • Exact Mass:243.104799
  • Monoisotopic Mass:243.104799
  • Complexity:285
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:0
  • Topological Polar Surface Area:4.9
  • Heavy Atom Count:19
  • 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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