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Dodecyl-Phenol

Names

[ CAS No. ]:
27193-86-8

[ Name ]:
Dodecyl-Phenol

[Synonym ]:
t-det
dodecylphenol(mixedisomers)
EINECS 248-312-8
Phenol,dodecyl
dodecyl-phenomixedisomers
Dodecyl-Phenol
MFCD00039521
phenol,dodecyl-,mixedisomers
dodecylphenols

Chemical & Physical Properties

[ Density]:
0.918g/cm3

[ Boiling Point ]:
154 - 168ºC

[ Melting Point ]:
46°C

[ Molecular Formula ]:
C18H32O

[ Molecular Weight ]:
264.44600

[ Flash Point ]:
163ºC

[ Exact Mass ]:
264.24500

[ PSA ]:
20.23000

[ LogP ]:
6.38470

[ Vapour Pressure ]:
6.05E-06mmHg at 25°C

[ Index of Refraction ]:
n20/D 1.503(lit.)

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
SL3675000
CHEMICAL NAME :
Phenol, dodecyl-, mixed isomers
CAS REGISTRY NUMBER :
27193-86-8
LAST UPDATED :
199710
DATA ITEMS CITED :
9
MOLECULAR FORMULA :
C18-H30-O
MOLECULAR WEIGHT :
262.48
WISWESSER LINE NOTATION :
QR X12

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0532404
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0532404 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
2100 mg/kg
TOXIC EFFECTS :
Gastrointestinal - hypermotility, diarrhea Gastrointestinal - peritonitis Nutritional and Gross Metabolic - weight loss or decreased weight gain
REFERENCE :
ATDAEI Acute Toxicity Data. Journal of the American College of Toxicology, Part B. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128) V.1- 1990- Volume(issue)/page/year: 1,72,1990
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
5 mL/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 23,95,1962 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - T0375 No. of Facilities: 72 (estimated) No. of Industries: 3 No. of Occupations: 8 No. of Employees: 1974 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - T0375 No. of Facilities: 248 (estimated) No. of Industries: 6 No. of Occupations: 6 No. of Employees: 9760 (estimated) No. of Female Employees: 429 (estimated)

Safety Information

[ Symbol ]:

GHS05, GHS09

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H314-H410

[ Precautionary Statements ]:
P273-P280-P305 + P351 + P338-P310-P501

[ Personal Protective Equipment ]:
Faceshields;full-face respirator (US);Gloves;Goggles;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
C;N

[ Risk Phrases ]:
R34

[ Safety Phrases ]:
S26;S45;S61;S36/S37/S39

[ RIDADR ]:
3145

[ WGK Germany ]:
2

[ RTECS ]:
SL3675000

[ Packaging Group ]:
III

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J. Med. Chem. 48 , 5666-74, (2005)

We investigated the influence of induced fit of the androgen receptor binding pocket on free energies of ligand binding. On the basis of a novel alignment procedure using flexible docking, molecular d...

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