18829-55-5

Name trans-2-Heptenal
CAS 18829-55-5
EINECS(EC#) 242-608-0
Molecular Formula C7H12O
MDL Number MFCD00007010
Molecular Weight 112.17
MOL File 18829-55-5.mol

Chemical Properties

Appearance clear colorless to light yellow liquid
Melting point  -53.35°C (estimate)
Boiling point  90-91 °C50 mm Hg(lit.)
density  0.857 g/mL at 25 °C(lit.)
vapor density  >1 (vs air)
FEMA  3165
refractive index  n20/D 1.450(lit.)
Fp  128 °F
storage temp.  Refrigerator (+4°C) + Flammables area
form  neat
color  Colorless to Light yellow to Light orange
Odor at 1.00 % in dipropylene glycol. pungent green vegetable fresh fatty
biological source synthetic
Odor Type green
JECFA Number 1360
BRN  1700822
InChI 1S/C7H12O/c1-2-3-4-5-6-7-8/h5-7H,2-4H2,1H3/b6-5+
InChIKey NDFKTBCGKNOHPJ-AATRIKPKSA-N
SMILES [H]C(=O)\C([H])=C(/[H])CCCC
LogP 2.11
CAS DataBase Reference 18829-55-5(CAS DataBase Reference)
NIST Chemistry Reference 2-Heptenal, (E)-(18829-55-5)
EPA Substance Registry System 2-Heptenal, (2E)- (18829-55-5)

Safety Data

Symbol(GHS)  Flame (GHS02)Skull and Crossbones (GHS06)
GHS02,GHS06
Signal word  Danger
Hazard statements  H226-H302+H332-H311-H317
Precautionary statements  P210-P233-P280-P301+P312-P303+P361+P353-P304+P340+P312
Hazard Codes  Xn,Xi
Risk Statements 
R10:Flammable.
R20/21:Harmful by inhalation and in contact with skin .
R43:May cause sensitization by skin contact.
Safety Statements 
S16:Keep away from sources of ignition-No smoking .
S36/37:Wear suitable protective clothing and gloves .
RIDADR  UN 1988 3/PG 3
WGK Germany  3
RTECS  MJ8795000
F  10-23
Hazard Note  Irritant
TSCA  TSCA listed
HazardClass  3.2
PackingGroup  III
HS Code  29121900
Storage Class 3 - Flammable liquids
Hazard Classifications Acute Tox. 3 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Flam. Liq. 3
Skin Sens. 1

Hazard Information

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