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General Material Information

Preferred name marine hexane
Trivial Name cis-1-(1,1-Dimethylpropyl)-4-ethoxycyclohexane
Short Description ozofleur (IFF)
Formula C13 H26 O
CAS Number 181258-87-7
FDA UNII Search
Nikkaji Number J3.204.190F
xLogP3-AA 4.20 (est)
NMR Predictor External link
Synonyms
  • cyclohexane, 1-(1,1-dimethylpropyl)-4-ethoxy-, cis-
  • (Z+E)-1-(1,1-dimethyl propyl)-4-ethoxycyclohexane
  • (E+Z)-1-(1,1-dimethylpropyl)-4-ethoxycyclohexane
  • (E+Z)-1-ethoxy-4-(2-methylbutan-2-yl)cyclohexane
  • trans+cis-1-ethoxy-4-(2-methylbutan-2-yl)cyclohexane
  • ozofleur (IFF)
  • (Z)-1-ethoxy-4-(2-methylbutan-2-yl)cyclohexane
  • cis-1-(1,1-Dimethylpropyl)-4-ethoxycyclohexane

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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
Export Tariff Code:2902.19.0000

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 198.34942626953
Specific gravity @ 25 °C
Pounds per Gallon 7.231 to 7.281
Refractive Index 1.452 to 1.456 @ 20 °C
Vapor Pressure 0.112 mmHg @ 25 °C
Flash Point TCC Value 97.22 °C TCC
logP (o/w) 4
Shelf life 24 months (or longer if stored properly.)
Storage notes Store in cool, dry place in tightly sealed containers, protected from heat and light.
Solubility
alcohol Yes
water, 1.973 mg/L @ 25 °C (est) Yes
water No
Stability
alcoholic lotion Unspecified
antiperspirant Unspecified
bleach Unspecified
deo stick Unspecified
detergent Unspecified
fabric softener Unspecified
hard surface cleaner Unspecified
shampoo Unspecified
soap Unspecified

Organoleptic Properties

Odor Type: Marine
fresh outdoors, green, pepper bell pepper, ozone, marine
Odor strength high , recommend smelling in a 10.00 % solution or less
Substantivity 8 hour(s) at 10.00 % in dipropylene glycol
Luebke, William tgsc, (2009) At 10.00 % in dipropylene glycol. fresh outdoors green bell pepper ozone marine
General comment Ozone like, wet metallic clean effervescent

Safety Information

Safety information

European information :
Most important hazard(s):
Xi - Irritant
R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.
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 marine hexane usage levels up to:
6.0000 % in the fragrance concentrate.
Recommendation for marine hexane 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):181258-87-7
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :18974564
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
(Z)-1-ethoxy-4-(2-methylbutan-2-yl)cyclohexane
Chemidplus:0181258877