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heptyl resorcinol
1,3-benzenediol, 4-heptyl-

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Name:4-heptylbenzene-1,3-diol
CAS Number: 18979-65-2Picture of molecule3D/inchi
FDA UNII: 4340A7X1C2
Nikkaji Web:J15.439C
Beilstein Number:3263444
XlogP3:4.00 (est)
Molecular Weight:208.30080000
Formula:C13 H20 O2
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:information only not used for fragrances or flavors
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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NCBI:Search
 
Physical Properties:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 343.89 °C. @ 760.00 mm Hg (est)
Flash Point: 321.00 °F. TCC ( 160.50 °C. ) (est)
logP (o/w): 4.278 (est)
Soluble in:
 water, 20.54 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
4-heptylbenzene-1,3-diol
 
Safety Information:
 
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-guinea pig LDLo 300 mg/kg
Proceedings of the Society for Experimental Biology and Medicine. Vol. 28, Pg. 609, 1931.

oral-rat LD50 1300 mg/kg
Proceedings of the Society for Experimental Biology and Medicine. Vol. 32, Pg. 592, 1935.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
information only not used for fragrances or flavors
Recommendation for heptyl resorcinol usage levels up to:
 not for fragrance use.
 
Recommendation for heptyl resorcinol 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 :87875
National Institute of Allergy and Infectious Diseases:Data
4-heptylbenzene-1,3-diol
Chemidplus:0018979652
 
References:
 4-heptylbenzene-1,3-diol
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):87875
Pubchem (sid):135045522
 
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
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
1,3-benzenediol, 4-heptyl-
 di-hydranol
2,4-dihydroxyphenyl-N-heptane
4-heptylbenzene-1,3-diol
 resorcinol, 4-heptyl-
 
 
Notes:
None found
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