1,6-Heptadiyne Structure

1,6-Heptadiyne

Chemical Properties

Melting point -85 °C
Boiling point 111.5 °C (lit.)
Density  0.805 g/mL at 25 °C (lit.)
refractive index  n20/D 1.441(lit.)
Flash point 49 °F
storage temp.  2-8°C
form  Liquid
Specific Gravity 0.805
color  Clear yellow
Water Solubility  Insoluble in water.
BRN  1731756
Henry's Law Constant 4.6×10-3 mol/(m3Pa) at 25℃, Plyasunov and Shock (2000)
InChI 1S/C7H8/c1-3-5-7-6-4-2/h1-2H,5-7H2
InChIKey RSPZSDWVQWRAEF-UHFFFAOYSA-N
SMILES C#CCCCC#C
CAS DataBase Reference 2396-63-6(CAS DataBase Reference)
EWG's Food Scores 1
FDA UNII 4Q2T7VS4RE
EPA Substance Registry System 1,6-Heptadiyne (2396-63-6)
UNSPSC Code 12352100
NACRES NA.22

Safety

Symbol(GHS) Flame (GHS02)
Signal wordDanger
Hazard statements H225
Precautionary statements P210
Hazard Codes  F
Risk Statements  11
Safety Statements  16-29-33
RIDADR  UN 3295 3/PG 2
WGK Germany  2
RTECS  MI5600000
TSCA  TSCA listed
HazardClass  3
PackingGroup  II
HS Code  29012990
Storage Class 3 - Flammable liquids
Hazard Classifications Flam. Liq. 2
Toxicity dog,LD50,oral,3830mg/kg (3830mg/kg),GASTROINTESTINAL: NAUSEA OR VOMITINGLIVER: "HEPATITIS, FIBROUS (CIRRHOSIS, POST-NECROTIC SCARRING)"BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY),Federation Proceedings, Federation of American Societies for Experimental Biology. Vol. 19, Pg. 389, 1960.
NFPA 704:
3
1 0

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