112-42-5

Name 1-UNDECANOL
CAS 112-42-5
EINECS(EC#) 203-970-5
Molecular Formula C11H24O
MDL Number MFCD00004751
Molecular Weight 172.31
MOL File 112-42-5.mol

Chemical Properties

Appearance colourless liquid
Melting point  11 °C (lit.)
Boiling point  146 °C/30 mmHg (lit.)
density  0.83 g/mL at 25 °C(lit.)
vapor pressure  <1 hPa (20 °C)
FEMA  3097
refractive index  n20/D 1.44(lit.)
Fp  >230 °F
storage temp.  Store below +30°C.
solubility  0.0057g/l insoluble
form  Liquid
pka 15.20±0.10(Predicted)
color  Clear colorless to pale yellow
Odor Faint alcohol.
Stability: Stable. Combustible. Incompatible with strong oxidizing agents, strong acids.
biological source synthetic
Odor Type waxy
Water Solubility  Not miscible or difficult to mix with water. Soluble in chloroform and ethyl acetate.
Thermal Conductivity 0.149 W/(m·K) at 25 ℃
JECFA Number 106
BRN  1698334
Henry's Law Constant 1.4×10-1 mol/(m3Pa) at 25℃, Brockbank (2013)
Dielectric constant 5.9800000000000004
Major Application flavors and fragrances
Cosmetics Ingredients Functions FRAGRANCE
SKIN CONDITIONING
SKIN CONDITIONING - EMOLLIENT
ANTI-SEBUM
VISCOSITY CONTROLLING
InChI 1S/C11H24O/c1-2-3-4-5-6-7-8-9-10-11-12/h12H,2-11H2,1H3
InChIKey KJIOQYGWTQBHNH-UHFFFAOYSA-N
SMILES CCCCCCCCCCCO
LogP 4.9 at 20℃
CAS DataBase Reference 112-42-5(CAS DataBase Reference)
EPA Substance Registry System 1-Undecanol (112-42-5)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)Environment (GHS09)
GHS07,GHS09
Signal word  Warning
Hazard statements  H319-H410
Precautionary statements  P264-P273-P280-P305+P351+P338-P337+P313-P391
Hazard Codes  Xi,N
Risk Statements 
R38:Irritating to the skin.
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
R43:May cause sensitization by skin contact.
Safety Statements 
S37:Wear suitable gloves .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
S36/37:Wear suitable protective clothing and gloves .
RIDADR  UN 3082 9/PG 3
WGK Germany  2
RTECS  YQ3155000
TSCA  Yes
REACH Registrations Active
HazardClass  9
PackingGroup  III
HS Code  29051990
Storage Class 10 - Combustible liquids
Hazard Classifications Aquatic Acute 1
Aquatic Chronic 2
Eye Irrit. 2
Safety Profile
Moderately toxic by ingestion. A skin irritant. Combustible liquid. Mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes. See also ALCOHOLS.
Hazardous Substances Data 112-42-5(Hazardous Substances Data)
Toxicity
LD50 orally in Rabbit: 3000 mg/kg

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