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2094-99-7

2094-99-7 structure
2094-99-7 structure

Name 1-(2-isocyanatopropan-2-yl)-3-prop-1-en-2-ylbenzene
Synonyms 3-Isopropenylcumyl Isocyanate
Isocyanic Acid 3-Isopropenylcumyl Ester
Isocyanic Acid 3-Isopropenyl-α,α-dimethylbenzyl Ester
1-methyl-1-[3-(1-methylethenyl)phenyl]ethyl isocyanate
1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)-benzene
EINECS 402-440-2
MFCD00080490
3-Isopropenyl-α,α-dimethylbenzyl Isocyanate
Density 1.018 g/mL at 25 °C(lit.)
Boiling Point 268-271 °C(lit.)
Molecular Formula C13H15NO
Molecular Weight 201.26400
Flash Point >230 °F
Exact Mass 201.11500
PSA 29.43000
LogP 3.29060
Vapour Pressure 0.00723mmHg at 25°C
Index of Refraction n20/D 1.53(lit.)

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DA3685000
CHEMICAL NAME :
Benzene, 1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)-
CAS REGISTRY NUMBER :
2094-99-7
LAST UPDATED :
199712
DATA ITEMS CITED :
6
MOLECULAR FORMULA :
C13-H15-N-O

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
3100 ug/kg
TOXIC EFFECTS :
Gastrointestinal - gastritis Gastrointestinal - other changes
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0546191
TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
>2 gm/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: OTS0546191
TYPE OF TEST :
LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
750 mg/m3/1H
TOXIC EFFECTS :
Sense Organs and Special Senses (Olfaction) - effect, not otherwise specified Lungs, Thorax, or Respiration - chronic pulmonary edema Gastrointestinal - changes in structure or function of salivary glands
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: 1,43,1990
Symbol GHS05 GHS06 GHS08 GHS09
GHS05, GHS06, GHS08, GHS09
Signal Word Danger
Hazard Statements H314-H317-H330-H334-H373-H410
Precautionary Statements P260-P280-P284-P303 + P361 + P353-P304 + P340 + P310-P305 + P351 + P338-P342 + P311-P403 + P233
Personal Protective Equipment Faceshields;full-face respirator (US);Gloves;Goggles;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes T+: Very toxic;N: Dangerous for the environment;
Risk Phrases R26
Safety Phrases S7-S15-S28-S36/37/39-S38-S45-S60-S61
RIDADR UN 2206 6.1/PG 3
WGK Germany 2
RTECS DA3685000
Packaging Group II
Hazard Class 6.1(a)
HS Code 2929109000
HS Code 2929109000
Summary 2929109000. other isocyanates. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%