EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

caprylyl pyrrolidone
2-pyrrolidinone, 1-octyl-

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CAS Number: 2687-94-7Picture of molecule3D/inchi
FDA UNII: Search
Nikkaji Web:J498.788H
Beilstein Number:1526318
MDL:MFCD00074965
XlogP3-AA:3.20 (est)
Molecular Weight:197.32151000
Formula:C12 H23 N O
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:surfactant
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
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Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
Physical Properties:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.92000 @ 25.00 °C.
Refractive Index:1.46500 @ 20.00 °C.
Boiling Point: 172.00 °C. @ 15.00 mm Hg
Boiling Point: 303.00 to 304.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure:0.001000 mmHg @ 25.00 °C. (est)
Flash Point:> 230.00 °F. TCC ( > 110.00 °C. )
logP (o/w): 3.321 (est)
Soluble in:
 water, 64.51 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: cleansing agents
foaming agents
hair conditioning
surfactants
 
Suppliers:
BOC Sciences
For experimental / research use only.
1-octyl-2-pyrrolidone
ECSA Chemicals
SURFADONE LP-100
ECSA TRADE THE MOST UPDATED FINANCIAL PUBLICATION ON THE WORLD OF CHEMISTRY
Sigma-Aldrich: Aldrich
For experimental / research use only.
1-Octyl-2-pyrrolidone 98%
 
Safety Information:
Preferred SDS: View
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
oral-rat LD50 2050 mg/kg
KIDNEY, URETER, AND BLADDER: OTHER CHANGES GASTROINTESTINAL: OTHER CHANGES LIVER: OTHER CHANGES
Food and Chemical Toxicology. Vol. 26, Pg. 475, 1988.

Dermal Toxicity:
skin-rabbit LD50 > 2000 mg/kg
United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. Vol. 8EHQ-1290-1125

Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
surfactant
Recommendation for caprylyl pyrrolidone usage levels up to:
 not for fragrance use.
 
Recommendation for caprylyl pyrrolidone flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):2687-94-7
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :3033871
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
1-octylpyrrolidin-2-one
Chemidplus:0002687947
RTECS:UY5896000 for cas# 2687-94-7
 
References:
 1-octylpyrrolidin-2-one
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:2687-94-7
Pubchem (cid):3033871
Pubchem (sid):135019296
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
CHEMBL:View
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2933.79.5000
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
 surfactants
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
N-octyl pyrrolidone
1-octyl-2-pyrrolidinone
1-octyl-2-pyrrolidone
1-N-octyl-2-pyrrolidone
N-octyl-2-pyrrolidone
1-octylpyrrolidin-2-one
N-octylpyrrolidinone
N-octylpyrrolidone
2-pyrrolidinone, 1-octyl-
 
 
Notes:
None found
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