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(3-methoxy-2-methyl propyl) benzene

Chemical Structure

General Material Information

Preferred name (3-methoxy-2-methyl propyl) benzene
Trivial Name (3-Methoxy-2-methylpropyl)benzene
Short Description centifolether (Firmenich)
Formula C11 H16 O
CAS Number 120811-92-9
FDA UNII Search
Nikkaji Number J3.422.058A
xLogP3-AA 2.80 (est)
NMR Predictor External link
Synonyms
  • benzene, (3-methoxy-2-methylpropyl)-
  • centifol ether
  • centifolether (Firmenich)
  • (3-methoxy-2-methylpropyl)benzene
  • methyl 2-methyl-3-phenylpropyl ether
  • (3-Methoxy-2-methylpropyl)benzene

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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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

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 164.24772644043
Vapor Pressure 0.128 mmHg @ 25 °C
Flash Point TCC Value 90.5 °C TCC
logP (o/w) 3.57
Solubility
alcohol Yes
water, 127.3 mg/L @ 25 °C (est) Yes
Stability
APC: 0.1 - 1% Unspecified
candle: 0.1 - 1% Unspecified
detergent: 0.1 - 1% Unspecified
fine fragrances: 0.1 - 1% Unspecified
shampoo: 0.1 - 1% Unspecified
shower gel: 0.1 - 1% Unspecified
soap: 0.1 - 1% Unspecified
softener: 0.1 - 1% Unspecified

Organoleptic Properties

Odor Type: Floral
floral, green, rose, petal, fruity
Odor strength medium
Substantivity 3 hour(s) at 100.00 %
General comment At 100.00 %. floral green rose petal fruity
Excellent with rose notes and with green notes. Extremely stable including in chlorine bleach. This natural floral green note has a rose petal character with hints of exotic fruits

Safety Information

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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in use information

Category:
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 (3-methoxy-2-methyl propyl) benzene 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):120811-92-9
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :22336876
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
(3-methoxy-2-methylpropyl)benzene
Chemidplus:0120811929