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

3-propyl phenol
phenol, 3-propyl-

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Fragrance Demo Formulas
CAS Number: 621-27-2Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:210-675-5
Nikkaji Web:J134.393I
XlogP3:2.90 (est)
Molecular Weight:136.19384000
Formula:C9 H12 O
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome or firefox)
Category:natural substances and extractives
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
Physical Properties:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Melting Point: 26.00 °C. @ 760.00 mm Hg
Boiling Point: 228.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.045000 mmHg @ 25.00 °C. (est)
Flash Point: 228.00 °F. TCC ( 108.80 °C. ) (est)
logP (o/w): 3.062 (est)
Soluble in:
 water, 832.8 mg/L @ 25 °C (est)
Insoluble in:
Organoleptic Properties:
Odor Description:truffle
Odor and/or flavor descriptions from others (if found).
Cosmetic Information:
None found
BOC Sciences
For experimental / research use only.
3-n-Propylphenol 95%
Penta International
Santa Cruz Biotechnology
For experimental / research use only.
3-n-Propylphenol ≥98%
Sigma-Aldrich: Aldrich
For experimental / research use only.
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
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
Safety in Use Information:
natural substances and extractives
Recommendation for 3-propyl phenol usage levels up to:
 not for fragrance use.
Recommendation for 3-propyl phenol flavor usage levels up to:
 not for flavor use.
Safety References:
EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :69302
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
RTECS:SM8594000 for cas# 621-27-2
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):69302
Pubchem (sid):135027235
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
HMDB (The Human Metabolome Database):Search
VCF-Online:VCF Volatile Compounds in Food
Potential Blenders and core components note
None Found
Potential Uses:
None Found
Occurrence (nature, food, other):note
 found in nature
 phenol, 3-propyl-
 phenol, m-propyl-
meta-propyl phenol


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