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Home> Encyclopedia > Hot Product Listed 5   > 5,5'-Diallyl-2,2'-biphenyldiol
528-43-8 structure

5,5'-Diallyl-2,2'-biphenyldiol

Iupac Name:2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol
CAS No.:528-43-8
EINECS(EC#): 610-903-7
Molecular Weight:266.33432
Molecular Formula:C18H18O2 (isomer)
Names and Identifiers
Synonyms

(1,1'-Biphenyl)-2,2'-diol, 5,5'-di-2-propenyl- [1,1'-Biphenyl]-2,2'-diol, 5,5'-di-2-propenyl- [1,1'-Biphenyl]-2,2'-diol,5,5'-di-2-propenyl- [1,1'-Biphenyl]-2,2'-diol,5,5'-di-2-propenyl- (9CI) 001E35HGVF 2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol 2-(2-oxidanyl-5-prop-2-enyl-phenyl)-4-prop-2-enyl-phenol 2,2'-Bichavicol 2,2'-Bichavicol(6CI) 2,2'-Biphenyldiol, 5,5'-diallyl- 2,2'-Biphenyldiol, 5,5'-diallyl- (8CI) 2-[2-hydroxy-5-(prop-2-en-1-yl)phenyl]-4-(prop-2-en-1-yl)phenol 2'-Bichavicol 3r5n 4-allyl-2-(5-allyl-2-hydroxy-phenyl)phenol 4CN-0760 5,5 5,5 inverted exclamation mark -Diallyl-2,2 inverted exclamation mark -biphenyldiol 5,5'-bis(prop-2-en-1-yl)-[1,1'-biphenyl]-2,2'-diol 5,5'-di(prop-2-en-1-yl)biphenyl-2,2'-diol 5,5'-Di-2-propenyl-[1,1'-biphenyl]-2,2'-diol 5,5'-Diallyl-[1,1'-biphenyl]-2,2'-diol 5,5'-Diallyl-2,2'-dihydroxybiphenyl 5,5'-Diallylbiphenyl-2,2'-diol 528-43-8 528M438 A10551 AB0016717 AC1L2HT7 AC1Q7B1V AC-931 ACN-035415 AJ-08064 AK-72952 AKOS005266409 AN-15430 AX8016874 BBL027818 BC205200 BCP28276 BDBM78304 -biphenyl]-2,2 BN0720 BR-72952 BRD-K26168087-001-01-4 C10651 C-16714 CC-30123 CCG-208588 CHEBI:6643 CHEMBL180920 cid_72300 CJ-00060 CM0085 CS-5021 CTK1G9448 D3971 Dehydrodichavicol -Diallyl-[1,1 -diol DS-1284 DTXSID0044076 FT-0628104 HMS2269N09 HMS3651O18 HSDB 7686 HY-N0163 I01-2281 J10186 Kopnolia KS-000009BG LS-44356 Maglol MAGNOLIABARKEXTRACT Magnolol Magnolol(2,2 -Bichavicol) Magnolol(2,2-Bichavicol) MAGNOLOL(P) Magnolol, >=95% (HPLC), from plant Magnolol, European Pharmacopoeia (EP) Reference Standard Magnolol,(S) MCULE-1351244567 MFCD00016658 MFCD00016658 (97%) MLS001048917 N1359 NCGC00161609-01 NCGC00161609-02 NSC 293099 NSC293099 NSC-293099 O906 PubChem19035 Q-100598 REGID_for_CID_72300 RTR-031540 s2321 S-2836 SC-25620 SCHEMBL132477 SMP2_000086 SMR000387108 SR-01000758206 SR-01000758206-3 SR-01000758206-4 ST24029219 STK801955 SW219728-1 SY016075 TR-031540 UNII-001E35HGVF UPCMLD-DP037 UPCMLD-DP037:001 VVOAZFWZEDHOOU-UHFFFAOYSA-N ZB000381 ZINC1645

Inchi
InChI=1/C18H18O2/c1-3-5-13-7-9-17(19)15(11-13)16-12-14(6-4-2)8-10-18(16)20/h3-4,7-12,19-20H,1-2,5-6H2
InChkey
VVOAZFWZEDHOOU-UHFFFAOYSA-N
Canonical Smiles
C=CCC1=CC(=C(C=C1)O)C2=C(C=CC(=C2)CC=C)O
Isomers Smiles
C=CCC1=CC(=C(C=C1)O)C2=C(C=CC(=C2)CC=C)O
Properties
Appearance
A bioactive compound found in the bark of the Houpu magnolia.
Density
1.107
Melting Point
99 - 101
Boiling Point
401 °C at 760 mmHg
Vapour
4.37X10-7 mm Hg at 25 deg C (est)
Refractive Index
1.601
Flash Point
401 °C at 760 mmHg
Solubility
Insoluble
HS Code
29072990
Storage temp
2-8°C
Spectral properties
UV max: 293 nm (log epsilon 3.90)
Safety and Handling
Hazard Codes
N
Risk Statements
R37/38;R41;R51/53
Safety Statements
S26;S39;S61
Hazard Note
H315; H318; H335; H411
Safety

Moderately toxic by ingestion. When heated to decomposition it emits acrid smoke and irritating vapors.
Hazard Codes:?DangerousN
Risk Statements: 37/38-41-51/53
R37/38:Irritating to respiratory system and skin.?
R41:Risk of serious damage to the eyes.?
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
Safety Statements: 26-39-61
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?
S39:Wear eye / face protection.?
S61:Avoid release to the environment. Refer to special instructions / safety data sheets.
RIDADR: UN 3077
RTECS: DV5105500

Toxicity
1. ???

orl-mus LD50:2200?mg/kg

??? BRXXAA ?? British Patent Document. (U.S. Patent Office, Science Library, 2021 Jefferson Davis Highway, Arlington, VA 22202) #5135746 .
Transport
UN 3077
Specification

? 5,5'-Diallyl-2,2'-biphenyldiol , with CAS number of 528-43-8, can be called 2,2'-Bichavicol(6CI) ; [1,1'-Biphenyl]-2,2'-diol,5,5'-di-2-propenyl- (9CI) ; 2,2'-Biphenyldiol, 5,5'-diallyl- (8CI) .?5,5'-Diallyl-2,2'-biphenyldiol (CAS NO.528-43-8) can be used in Pharmacological.

Octanol/Water Partition Coefficient
log Kow = 5.58 (est)
Disposal Methods
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
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 \u2013 single exposure, Category 3

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 2

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

H411 Toxic to aquatic life with long lasting effects

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/\u2026

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

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

P391 Collect spillage.

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

NMR Spectrum
Precursor and Product
Computational chemical data
  • Molecular Weight:266.33432g/mol
  • Molecular Formula:C18H18O2
  • Exact Mass:266.13068
  • Monoisotopic Mass:266.13068
  • Complexity:293
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:40.5
  • 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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