2705-87-5

Name Allyl cyclohexylpropionate
CAS 2705-87-5
EINECS(EC#) 220-292-5
Molecular Formula C12H20O2
MDL Number MFCD00059557
Molecular Weight 196.29
MOL File 2705-87-5.mol

Chemical Properties

Melting point  <-20°
Boiling point  91 °C1 mm Hg(lit.)
density  0.948 g/mL at 25 °C(lit.)
vapor pressure  3.8Pa at 25℃
FEMA  2026
refractive index  n20/D 1.46(lit.)
Fp  227 °F
storage temp.  Inert atmosphere,Room Temperature
solubility  almost transparency in Methanol
form  neat
color  Colorless to Almost colorless
Odor at 100.00 %. sweet pineapple tropical fruity candy waxy
biological source synthetic
Odor Type fruity
Water Solubility  16.5mg/L at 20℃
JECFA Number 13
Major Application cleaning products
cosmetics
flavors and fragrances
food and beverages
personal care
Cosmetics Ingredients Functions PERFUMING
InChI 1S/C12H20O2/c1-2-10-14-12(13)9-8-11-6-4-3-5-7-11/h2,11H,1,3-10H2
InChIKey TWXUTZNBHUWMKJ-UHFFFAOYSA-N
SMILES C=CCOC(=O)CCC1CCCCC1
LogP 4.276 at 20℃
CAS DataBase Reference 2705-87-5(CAS DataBase Reference)
NIST Chemistry Reference Cyclohexanepropanoic acid, 2-propenyl ester(2705-87-5)
EPA Substance Registry System 2705-87-5(EPA Substance)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)Environment (GHS09)
GHS07,GHS09
Signal word  Warning
Hazard statements  H302+H312+H332-H317-H410
Precautionary statements  P261-P273-P280-P301+P312-P302+P352+P312-P304+P340+P312
Hazard Codes  Xn
Risk Statements 
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
Safety Statements 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
RIDADR  2810
WGK Germany  2
RTECS  GV6735000
TSCA  TSCA listed
REACH Registrations Active
HazardClass  6.1(b)
PackingGroup  III
HS Code  29162090
Storage Class 10 - Combustible liquids
Hazard Classifications Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Aquatic Acute 1
Aquatic Chronic 1
Skin Sens. 1
Safety Profile
Poison by ingestion. When heated to decomposition it emits acrid smoke and irritating fumes. Combustible liquid. See ALLYL COMPOUNDS and ESTERS
Toxicity
The acute oral LD50 has been reported as 585 mg/kg in the rat (B?r & Griepentrog, 1967).

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