498-15-7

Name (1S)-(+)-3-Carene
CAS 498-15-7
EINECS(EC#) 207-856-6
Molecular Formula C10H16
MDL Number MFCD00066417
Molecular Weight 136.23
MOL File 498-15-7.mol
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Chemical Properties

Melting point  25°C (estimate)
alpha  17 º (NEAT)
Boiling point  170-172 °C(lit.)
density  0.865 g/mL at 25 °C(lit.)
vapor pressure  2.73hPa at 20℃
refractive index  n20/D 1.473
Fp  131 °F
storage temp.  -20°C
solubility  soluble in Acetone,Ethanol,Benzene
form  liquid (clear)
color  clear very slightly yellow
Odor sweet
Optical Rotation [α]20/D +17°, neat
Water Solubility  3.7mg/L at 20℃
Merck  14,1836
BRN  1902767
Major Application food and beverages
InChI 1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9+/m1/s1
InChIKey BQOFWKZOCNGFEC-BDAKNGLRSA-N
SMILES CC1=CC[C@@H]2[C@H](C1)C2(C)C
LogP 4.38 at 37℃
CAS DataBase Reference 498-15-7(CAS DataBase Reference)
NIST Chemistry Reference Bicyclo[4.1.0]hept-3-ene, 3,7,7-trimethyl-, (1S)-(498-15-7)
EPA Substance Registry System Bicyclo[4.1.0]hept-3-ene, 3,7,7-trimethyl-, (1S,6R)- (498-15-7)
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Safety Data

Symbol(GHS)  Flame (GHS02)Exclamation Mark (GHS07)Environment (GHS09)
GHS02,GHS07,GHS09
Signal word  Warning
Hazard statements  H226-H317-H410
Precautionary statements  P273-P280-P501
Hazard Codes  Xi,N
Risk Statements 
R10:Flammable.
R50/53:Very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
Safety Statements 
S36/37:Wear suitable protective clothing and gloves .
S60:This material and/or its container must be disposed of as hazardous waste .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
RIDADR  UN 2319 3/PG 3
WGK Germany  2
RTECS  FH8400000
F  10-23
HS Code  2902.19.0050
REACH Registrations Active
HazardClass  3
PackingGroup  III
Storage Class 3 - Flammable liquids
Hazard Classifications Aquatic Acute 1
Aquatic Chronic 1
Asp. Tox. 1
Flam. Liq. 3
Skin Irrit. 2
Skin Sens. 1

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