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2,2,4,6,6-pentamethyl heptane
heptane, 2,2,4,6,6-pentamethyl-

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CAS Number: 13475-82-6Picture of molecule3D/inchi
Other(deleted CASRN):132702-84-2
ECHA EINECS - REACH Pre-Reg:236-757-0
FDA UNII: A8289P68Y2
Nikkaji Web:J133.533B
Beilstein Number:1731750
XlogP3-AA:5.60 (est)
Molecular Weight:170.33922000
Formula:C12 H26
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:cosmetic agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 177.00 to 178.00 °C. @ 760.00 mm Hg
Vapor Pressure:1.422000 mmHg @ 25.00 °C. (est)
Flash Point: 137.00 °F. TCC ( 58.40 °C. ) (est)
logP (o/w): 6.156 (est)
Soluble in:
 water, 0.1508 mg/L @ 25 °C (est)
Insoluble in:
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
skin conditioning - emollient
BOC Sciences
For experimental / research use only.
Heptane,2,2,4,6,6-pentamethyl- 95%
For experimental / research use only.
IsoDodecane puriss., ≥99.0% (GC)
For experimental / research use only.
2,2,4,6,6-Pentamethylheptane >98.0%(GC)
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:
cosmetic agents
Recommendation for 2,2,4,6,6-pentamethyl heptane usage levels up to:
 not for fragrance use.
Recommendation for 2,2,4,6,6-pentamethyl heptane 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):13475-82-6
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :26058
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:13475-82-6
Pubchem (cid):26058
Pubchem (sid):134991162
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
Export Tariff Code:2901.10.5000
VCF-Online:VCF Volatile Compounds in Food
Potential Blenders and core components note
None Found
Potential Uses:
None Found
Occurrence (nature, food, other):note
Search PMC Picture
 heptane, 2,2,4,6,6-pentamethyl-
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