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112-96-9

112-96-9 structure
112-96-9 structure

Name Octadecyl isocyanate
Synonyms Octadecane, 1-isocyanato-
Baykanol OI
Isocyanic Acid Stearyl Ester
1-Isocyanatooctadecane
Octadecyl Isocyanate
n-octadecylisocyanate
1-Octadecyl isocyanate
EINECS 204-019-7
Stearyl Isocyanate
MFCD00002041
octadecylisocyanate
monduro
odi
Tonco-70
Bykanol OI
millionateo
n-octadecane-1-isocyanate
Isocyanic Acid Octadecyl Ester
Isocyanic Acid n-Octadecyl Ester
1-isocyanato-octadecane
Density 0.9±0.1 g/cm3
Boiling Point 317.7±5.0 °C at 760 mmHg
Melting Point 15-16 °C(lit.)
Molecular Formula C19H37NO
Molecular Weight 295.503
Flash Point 144.9±10.0 °C
Exact Mass 295.287506
PSA 29.43000
LogP 9.86
Vapour Pressure 0.0±0.7 mmHg at 25°C
Index of Refraction 1.465

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NR0140000
CHEMICAL NAME :
Isocyanic acid, octadecyl ester
CAS REGISTRY NUMBER :
112-96-9
BEILSTEIN REFERENCE NO. :
1791451
LAST UPDATED :
199710
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C19-H37-N-O

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#04505 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X4368 No. of Facilities: 15 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 15 (estimated)
Symbol GHS07 GHS08
GHS07, GHS08
Signal Word Danger
Hazard Statements H302 + H312 + H332-H315-H319-H334-H335
Precautionary Statements P261-P280-P305 + P351 + P338-P342 + P311
Personal Protective Equipment Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes Xn: Harmful;
Risk Phrases R20;R36/37/38;R42
Safety Phrases S26-S36/37-S45
RIDADR UN 2206 6.1/PG 3
WGK Germany 1
RTECS NR0140000
Packaging Group III
Hazard Class 6.1(b)

~59%

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Literature: Bioorganic and Medicinal Chemistry Letters, , vol. 15, # 12 p. 3147 - 3150

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Literature: Tetrahedron, , vol. 46, # 2 p. 465 - 474

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Literature: Technology Reports of the Osaka University, , vol. 8, p. 487,493 Chem.Abstr., , p. 18873 Kogyo Kagaku Zasshi, , vol. 56, p. 289 Chem.Abstr., , p. 10634 DE801993 , ; DRP/DRBP Org.Chem.

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Literature: Chemical and Pharmaceutical Bulletin, , vol. 32, # 7 p. 2700 - 2713

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Literature: US2326501 , ; Justus Liebigs Annalen der Chemie, , vol. 562, p. 75,1114

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Literature: US2261156 , ; DE734559 , ; DRP/DRBP Org.Chem.

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Literature: US2261156 , ; DE734559 , ; DRP/DRBP Org.Chem.

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112-96-9

Literature: High Energy Chemistry, , vol. 45, # 6 p. 521 - 524

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112-96-9

Literature: DE734559 , ; DRP/DRBP Org.Chem.