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tert-octanol
1-hexanol, 2,2-dimethyl-

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CAS Number: 2370-13-0Picture of molecule3D/inchi
FDA UNII: Search
Nikkaji Web:J59.814C
Beilstein Number:1732737
XlogP3-AA:2.70 (est)
Molecular Weight:130.23066000
Formula:C8 H18 O
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:
Appearance:colorless to pale yellow clear liquid (est)
Food Chemicals Codex Listed: No
Boiling Point: 165.00 to 166.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure:0.624000 mmHg @ 25.00 °C. (est)
Flash Point: 141.00 °F. TCC ( 60.60 °C. ) (est)
logP (o/w): 2.622 (est)
Soluble in:
 alcohol
 water, 1485 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor Description:at 100.00 %. herbal pungent
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
2,2-Dimethyl-1-hexanol
 
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-rat LD50 2200 mg/kg
Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 95, 1982.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
information only not used for fragrances or flavors
Recommendation for tert-octanol usage levels up to:
 not for fragrance use.
 
Recommendation for tert-octanol 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 :16912
National Institute of Allergy and Infectious Diseases:Data
2,2-dimethylhexan-1-ol
Chemidplus:0002370130
 
References:
 2,2-dimethylhexan-1-ol
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):16912
Pubchem (sid):134983824
 
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:
2,2-dimethyl-1-hexanol
2,2-dimethylhexan-1-ol
 hexan-1-ol, 2,2-dimethyl-
1-hexanol, 2,2-dimethyl-
tert-octyl alcohol
 
 
Notes:
None found
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