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Isophytol Structure

Isophytol

Chemical Properties

Melting point 43.4°C (estimate)
Boiling point 309 °C(lit.)
Density  0.841 g/mL at 25 °C(lit.)
refractive index  n20/D 1.457(lit.)
Flash point >230 °F
storage temp.  2-8°C, stored under nitrogen
solubility  soluble in Chloroform
form  clear liquid
pka 14.51±0.29(Predicted)
color  Colorless to Light yellow
Specific Gravity 0.84
Odor at 100.00 %. mild floral herbal green
Odor Type floral
biological source synthetic
Water Solubility  Practically insoluble
Merck  14,5198
BRN  1783243
Stability Stable. Incompatible with strong oxidizing agents.
Cosmetics Ingredients Functions PERFUMING
InChI 1S/C20H40O/c1-7-20(6,21)16-10-15-19(5)14-9-13-18(4)12-8-11-17(2)3/h7,17-19,21H,1,8-16H2,2-6H3
InChIKey KEVYVLWNCKMXJX-UHFFFAOYSA-N
SMILES CC(C)CCCC(C)CCCC(C)CCCC(C)(O)C=C
LogP 8.8 at 25℃
CAS DataBase Reference 505-32-8(CAS DataBase Reference)
EWG's Food Scores 1
FDA UNII A831ZI6VIM
NIST Chemistry Reference Isophytol(505-32-8)
EPA Substance Registry System 1-Hexadecen-3-ol, 3,7,11,15-tetramethyl- (505-32-8)
UNSPSC Code 12352100
NACRES NA.22

Safety

Symbol(GHS) GHS hazard pictogramsGHS hazard pictograms
Signal wordWarning
Hazard statements H315-H410
Precautionary statements P264-P273-P280-P302+P352-P332+P313-P362+P364
Hazard Codes  Xi,N
Risk Statements  36/37/38-50/53-38
Safety Statements  24/25-37/39-26-61
RIDADR  UN 3082 9 / PGIII
WGK Germany  1
10
TSCA  TSCA listed
HazardClass  9
PackingGroup  III
HS Code  29052200
Storage Class 10 - Combustible liquids
Hazard Classifications Aquatic Acute 1
Aquatic Chronic 1
Skin Irrit. 2
Hazardous Substances Data 505-32-8(Hazardous Substances Data)
NFPA 704:
0
2 0

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