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2-(1,1-dimethylethyl)-4-methyl cyclohexanol acetate

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Name:(2-tert-butyl-4-methylcyclohexyl) acetate
CAS Number: 115724-27-1Picture of molecule3D/inchi
XlogP3-AA:3.80 (est)
Molecular Weight:212.33268000
Formula:C13 H24 O2
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:fragrance agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
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Pubchem Patents:Search
Physical Properties:
Assay: 95.00 to 100.00 sum of isomers
Food Chemicals Codex Listed: No
Specific Gravity:0.92500 @ 25.00 °C.
Boiling Point: 234.00 to 235.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure:0.050000 mmHg @ 25.00 °C. (est)
Flash Point: 204.00 °F. TCC ( 96.00 °C. )
logP (o/w): 4.449 (est)
Soluble in:
 water, 2.778 mg/L @ 25 °C (est)
Insoluble in:
Organoleptic Properties:
Odor Type: floral
floral rose tropical fruity
Odor Description:at 10.00 % in dipropylene glycol. fresh floral rose tropical fruity
Odor and/or flavor descriptions from others (if found).
Tadimety Aromatics
Odor Description:Fresh, floral, with typical Rose and Damascone notes
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
EMD Millipore
For experimental / research use only.
(2-tert-Butyl-4-methylcyclohexyl) acetate
Tadimety Aromatics
Odor: Fresh, floral, with typical Rose and Damascone notes
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
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
oral-rat LD50 > 5000 mg/kg

Dermal Toxicity:
skin-rat LD50 > 2000 mg/kg

Inhalation Toxicity:
Not determined
Safety in Use Information:
fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for damascate 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):115724-27-1
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :16206258
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
(2-tert-butyl-4-methylcyclohexyl) acetate
 (2-tert-butyl-4-methylcyclohexyl) acetate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):16206258
Pubchem (sid):135214593
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
Potential Blenders and core components note
None Found
Potential Uses:
None Found
Occurrence (nature, food, other):note
 not found in nature
2-tert-butyl-4-methyl cyclohexanol acetate
(2-tert-butyl-4-methylcyclohexyl) acetate
2-(1,1-dimethyl ethyl)-4-methyl cyclohexanol acetate
2-(1,1-dimethylethyl)-4-methyl cyclohexanol acetate
 rosascone (Tadimety)
None found
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