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

isooctanol
6-methylheptan-1-ol

Supplier Sponsors

CAS Number: 26952-21-6Picture of molecule3D/inchi
Other(deleted CASRN):1341-41-9
ECHA EC Number:248-133-5
FDA UNII:24SN77KGQP
MDL:MFCD00004746
Molecular Weight:130.23066000
Formula:C8 H18 O
Category:fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
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Perfumer and Flavorist:Search
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PubMed:Search
NCBI:Search
FDA Mainterm (IAUFC):26952-21-6 ; ISOOCTANOL
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Vapor Pressure:1.950000 mmHg @ 50.00 °C.
Flash Point: 180.00 °F. TCC ( 82.22 °C. )
logP (o/w): 2.730 (est)
Soluble in:
 alcohol
 water, 640 mg/L @ 25 °C (exp)
 
Organoleptic Properties:
Odor Type: fatty
Odor Strength:medium
fatty orange rose
Odor Description:at 100.00 %. fatty orange rose
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
skin conditioning
 
Suppliers:
BOC Sciences
For experimental / research use only.
isoOctyl Alcohol
 
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 1480 mg/kg
BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA
American Industrial Hygiene Association Journal. Vol. 34, Pg. 493, 1973.

oral-mammal (species unspecified) LD50 140 mg/kg
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 39(4), Pg. 86, 1974.

unreported-mammal (species unspecified) LD50 1670 mg/kg
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(5), Pg. 61, 1986.

oral-mouse LD50 1670 mg/kg
"Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 77, 1982.

Dermal Toxicity:
skin-rabbit LD50 2520 mg/kg
"Alcohols: Their Chemistry, Properties and Manufacture," Monick, J.A., New York, Reinhold Book, 1968Vol. -, Pg. 72, 1968

Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
fragrance agents
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
 
Recommendation for isooctanol flavor usage levels up to:
 not for flavor use.
 
Safety References:
NIOSH International Chemical Safety Cards:search
NIOSH Pocket Guide:search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):26952-21-6
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
Chemidplus:0026952216
EPA/NOAA CAMEO:hazardous materials
RTECS:26952-21-6
 
References:
Canada Domestic Sub. List:26952-21-6
Pubchem (sid):134995979
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
FDA Indirect Additives used in Food Contact Substances:View
HMDB (The Human Metabolome Database):Search
YMDB (Yeast Metabolome Database):YMDB01717
VCF-Online:VCF Volatile Compounds in Food
Wikipedia:View
 
Potential Blenders and core components note
For Odor
aldehydic
intreleven aldehyde (IFF)
FR
fatty
2-
decenal
FL/FR
floral
3-
decanol
FL/FR
2-
decanone
FL/FR
nonanol
FL/FR
fruity
octyl formate
FL/FR
For Flavor
No flavor group found for these
3-
decanol
FL/FR
fatty
fatty
2-
decenal
FL/FR
fermented
2-
decanone
FL/FR
green
octyl formate
FL/FR
waxy
nonanol
FL/FR
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 allspice japanese allspice
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 aspergillus flavus
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 decalepis hamiltonii
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 nicotiana sylvestris
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 rhodiola sachalinensis
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 sergia lucens
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 tobacco
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 tobacco aztec tobacco
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 tobacco jasmin tobacco
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 wine
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Synonyms:
 exxal 8
6-methyl heptan-1-ol
6-methyl heptanol
6-methylheptan-1-ol
isooctan-1-ol
isooctyl alcohol
 

Articles:

PubMed:Bio-lubricants Derived from Waste Cooking Oil with Improved Oxidation Stability and Low-temperature Properties.
PubMed:Conformation and catalytic properties studies of Candida rugosa Lip7 via enantioselective esterification of ibuprofen in organic solvents and ionic liquids.
PubMed:Utilisation of chemical signals by inquiline wasps in entering their host figs.
PubMed:Studies of the gas phase reactions of linalool, 6-methyl-5-hepten-2-ol and 3-methyl-1-penten-3-ol with O3 and OH radicals.
PubMed:Computer aided screening and evaluation of herbal therapeutics against MRSA infections.
PubMed:Analysis of European oak bark beetle (Scolytus intricatus) extracts using hyphenated and chiral chromatography techniques.
PubMed:Neutral compounds from male castoreum of North American beaver,Castor canadensis.
PubMed:In vitro quantitative structure-activity relationship assessment of pyrrole adducts production by gamma-diketone-forming neurotoxic solvents.
PubMed:[Products of microbiological biodegradation of polymer materials as a factor of possible contamination of the atmosphere of hermetically sealed compartments with toxic substances].
PubMed:Characterization and synthesis of volatile compounds from the defensive secretions of some "daddy longlets" (Arachnida: Opiliones: Leiobunum spp.).
PubMed:[Gas chromatographic study of odor and flavor components of dry wine].
PubMed:[On the effect of 2-amino-6-methyl-heptanol (heptaminol) on the glycoside saturated, nevertheless insufficient heart muscle].
PubMed:[Treatment of chronic pulmonary heart disease and middle grade heart insufficiency with 2-amino-6-methyl heptanol].
PubMed:[Contribution to the knowledge of the action of 2-amino-6-methyl-6-heptanol hydrochloride on the cardiovascular system. Radiographic research].
PubMed:[VARIATIONS OF THE RESPIRATORY DYSFUNCTIONAL SYNDROME IN CHRONIC PROFESSIONAL AND NON-PROFESSIONAL BRONCHOPNEUMOPATHIES INDUCED BY 2-AMINO-6-METHYL-6-HEPTANOL].
PubMed:[MUSCULAR WORK AND OXYGEN CONSUMPTION IN HEALTHY SUBJECTS SUBJECTED TO TREATMENT WITH 2, AMINO-6, METHYL-6, HEPTANOL HYDROCHLORIDE].
PubMed:[THE INDICATIONS OF 2-AMINO-6-METHYL-6-HEPTANOL HYDROCHLORIDE IN THE THERAPY OF HEART DISEASES].
PubMed:[The use of 2-amino-6-methyl-6-heptanol hydrochloride in coronary insufficiency].
PubMed:[Clinical research on the action of 2-amino-6-methyl-6-heptanol in certain cardiac insufficiencies].
PubMed:The action of 267C (1-(1-piperidyl)-6-methyl-3-phenyl-3-heptanol hydrochloride) in Parkinson's disease.
PubMed:[Pharmaceutical property of 2-amino-6-methyl-2-2-heptanol hydrochloride].
 
Notes:
None found
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