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3-methyl heptane
heptane, 3-methyl-

Supplier Sponsors

CAS Number: 589-81-1Picture of molecule3D/inchi
Other(deleted CASRN):116502-43-3
ECHA EINECS - REACH Pre-Reg:209-660-6
FDA UNII: Z4R1WI6C0R
Nikkaji Web:J43.431K
Beilstein Number:1730777
MDL:MFCD00027244
XlogP3-AA:4.30 (est)
Molecular Weight:114.23146000
Formula:C8 H18
NMR Predictor:Predict (works with chrome, Edge 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
PubMed:Search
NCBI:Search
 
Physical Properties:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 118.00 °C. @ 760.00 mm Hg
Vapor Pressure:19.600000 mmHg @ 25.00 °C. (est)
Flash Point: 52.00 °F. TCC ( 11.10 °C. ) (est)
logP (o/w): 4.627 (est)
Soluble in:
 water, 0.792 mg/L @ 25 °C (exp)
 water, 7.965 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Santa Cruz Biotechnology
For experimental / research use only.
3-Methylheptane 97%
Sigma-Aldrich: Aldrich
For experimental / research use only.
3-Methylheptane 98%
sds
TCI AMERICA
For experimental / research use only.
3-Methylheptane >97.0%(GC)
sds
 
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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
natural substances and extractives
Recommendation for 3-methyl heptane usage levels up to:
 not for fragrance use.
 
Recommendation for 3-methyl 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):589-81-1
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :11519
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
3-methylheptane
Chemidplus:0000589811
 
References:
 3-methylheptane
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):11519
Pubchem (sid):134976723
Pherobase:View
 
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):HMDB31583
FooDB:FDB008209
Export Tariff Code:2901.10.5000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 chickpea
Search Trop Picture
 jasminum sambac
Search Trop Picture
 ligularia virgaurea
Search Trop Picture
 
Synonyms:
 heptane, 3-methyl-
3-methylheptane
 

Articles:

PubMed:The volatile organic compounds from the mycelium of Tuber borchii Vitt.
PubMed:Exhaled breath metabolomics as a noninvasive diagnostic tool for acute respiratory distress syndrome.
PubMed:Gas chromatographic enantioseparation of unfunctionalized chiral alkanes: a challenge in separation science (overview, state of the art, and perspectives).
PubMed:Preparation of highly active and dispersed platinum nanoparticles on mesoporous Al-MCM-48 and their activity in the hydroisomerisation of n-octane.
PubMed:Dynamics of glass-forming liquids. VIII. Dielectric signature of probe rotation and bulk dynamics in branched alkanes.
PubMed:The volatile organic compounds from the mycelium of Tuber borchii Vitt.
PubMed:Yields of bacterial cells from hydrocarbons.
PubMed:Coupling of Butyl Bromide on Hot Magnesium.
 
Notes:
Constit. of Cicer arietinum (chickpea), Jasminum sambac (Arabian jasmine) and other plant spp. 3-Methylheptane is a branched alkane isomeric to octane. Its structural formula is CH3CH2CH(CH3)CH2CH2CH2CH3. It has one stereocenter.
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