1139-30-6

Name CARYOPHYLLENE OXIDE
CAS 1139-30-6
EINECS(EC#) 214-519-7
Molecular Formula C15H24O
MDL Number MFCD00134216
Molecular Weight 220.35
MOL File 1139-30-6.mol
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Chemical Properties

Appearance white crystalline powder
Melting point  62-63 °C(lit.)
Boiling point  301.3°C (rough estimate)
density  0.96
FEMA  4085 | BETA-CARYOPHYLLENE OXIDE
refractive index  1.4956
Fp  >230 °F
storage temp.  2-8°C
solubility  Chloroform (Slightly), Methanol (Slightly)
form  Crystalline Powder
color  White
Odor at 100.00 %. sweet fresh dry woody spicy
biological source synthetic
Odor Type woody
Optical Rotation [α]20/D 71±1°, c = 2% in chloroform
Water Solubility  insoluble in water
JECFA Number 1575
BRN  148213
Major Application metabolomics
vitamins, nutraceuticals, and natural products
Cosmetics Ingredients Functions PERFUMING
InChI 1S/C15H24O/c1-10-5-6-13-15(4,16-13)8-7-12-11(10)9-14(12,2)3/h11-13H,1,5-9H2,2-4H3/t11-,12-,13-,15-/m1/s1
InChIKey NVEQFIOZRFFVFW-RGCMKSIDSA-N
SMILES [H][C@@]12CCC(=C)[C@@]3([H])CC(C)(C)[C@]3([H])CC[C@@]1(C)O2
LogP 4.57
EPA Substance Registry System 5-Oxatricyclo[8.2.0.04,6]dodecane, 4,12,12-trimethyl-9-methylene-, (1R,4R,6R,10S)- (1139-30-6)
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Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)Environment (GHS09)
GHS07,GHS09
Signal word  Warning
Hazard statements  H315-H319-H411
Precautionary statements  P273-P302+P352-P305+P351+P338
Hazard Codes  Xi
Risk Statements 
Safety Statements 
WGK Germany  2
RTECS  RP5530000
F  1-10
TSCA  TSCA listed
HS Code  29109000
Storage Class 11 - Combustible Solids
Hazard Classifications Aquatic Chronic 2
Eye Irrit. 2
Skin Irrit. 2
Safety Profile
Low toxicity by ingestion and skin contact. A skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes.
Hazardous Substances Data 1139-30-6(Hazardous Substances Data)

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