NEROL Structure

NEROL

  • Product NameNEROL
  • CAS106-25-2
  • CBNumberCB7698233
  • MFC10H18O
  • MW154.25
  • EINECS203-378-7
  • MDL NumberMFCD00063204
  • MOL File106-25-2.mol
  • MSDS FileSDS

Chemical Properties

Melting point <-15 °C
Boiling point 103-105 °C/9 mmHg (lit.)
Density  0.876 g/mL at 25 °C (lit.)
vapor pressure  2.39Pa at 20℃
FEMA  2770 | NEROL
refractive index  n20/D 1.474(lit.)
FLAVIS Number 02.058 | (Z)-Nerol
Flash point 226 °F
storage temp.  2-8°C
solubility  absolute ethanol: soluble(lit.)
pka 14.45±0.10(Predicted)
form  Liquid
color  Clear colorless to almost colorless
Odor at 100.00 %. sweet natural neroli citrus magnolia
Odor Type floral
biological source synthetic
Water Solubility  1.311g/L(25 ºC)
Merck  14,6475
JECFA Number 1224
BRN  1722455
Henry's Law Constant 8.6×10-1 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
InChI 1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7-
InChIKey GLZPCOQZEFWAFX-YFHOEESVSA-N
SMILES C\C(C)=C\CC\C(C)=C/CO
LogP 2.76 at 30℃
CAS DataBase Reference 106-25-2(CAS DataBase Reference)
Substances Added to Food (formerly EAFUS) NEROL
FDA 21 CFR 172.515
EWG's Food Scores 1
FDA UNII 38G5P53250
EPA Substance Registry System 2,6-Octadien-1-ol, 3,7-dimethyl-, (2Z)- (106-25-2)
UNSPSC Code 85151701
NACRES NA.24

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H315-H317-H319
Precautionary statements P261-P264-P272-P280-P302+P352-P305+P351+P338
Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  26-36
RIDADR  UN1230 - class 3 - PG 2 - Methanol, solution
WGK Germany  2
RTECS  RG5840000
TSCA  TSCA listed
HS Code  29052210
Storage Class 10 - Combustible liquids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
Skin Sens. 1B
Hazardous Substances Data 106-25-2(Hazardous Substances Data)
Toxicity The acute oral LD50 value in rats was reported as 4.5 g/kg (3.4-5.6 g/kg) (Moreno, 1972). The acute dermal LD50 value in rabbits exceeded 5 g/kg (Moreno, 1972).
NFPA 704:
1
2 0

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NEROL Chemical Properties,Usage,Production

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