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1-Heptanethiol Structure

1-Heptanethiol

  • Product Name1-Heptanethiol
  • CAS1639-09-4
  • CBNumberCB4147664
  • MFC7H16S
  • MW132.27
  • EINECS216-678-8
  • MDL NumberMFCD00004911
  • MOL File1639-09-4.mol

Chemical Properties

Melting point: -43 °C
Boiling point: 177 °C
Density  0.84
vapor pressure  1.5 hPa ( 25 °C)
FEMA  4259 | HEPTANE-1-THIOL
refractive index  1.45
Flash point: 46 °C
storage temp.  Store below +30°C.
solubility  0.009g/l
pka 10.76±0.25(Predicted)
form  clear liquid
color  Colorless to Almost colorless
Odor at 0.10 % in propylene glycol. sulfurous onion
Odor Type sulfurous
biological source synthetic
explosive limit 0.9%(V)
Water Solubility  0.009g/L
Sensitive  Air Sensitive
JECFA Number 1663
BRN  1731687
Henry's Law Constant 4.2×10-4 mol/(m3Pa) at 25℃, Plyasunova et al. (2004)
Exposure limits NIOSH: Ceiling 0.5 ppm(2.7 mg/m3)
Major Application flavors and fragrances
InChI 1S/C7H16S/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3
InChIKey VPIAKHNXCOTPAY-UHFFFAOYSA-N
SMILES CCCCCCCS
LogP 3.91
CAS DataBase Reference 1639-09-4(CAS DataBase Reference)
NIST Chemistry Reference 1-Heptanethiol(1639-09-4)
EPA Substance Registry System 1-Heptanethiol (1639-09-4)

Safety

Symbol(GHS)  Flame (GHS02)
GHS02
Signal word  Warning
Hazard statements  H226
Precautionary statements  P210-P233-P240-P241-P242-P243
PPE Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Risk Statements  10
Safety Statements  23-16
RIDADR  UN 3336 3/PG 3
OEL Ceiling: 0.5 ppm (2.7 mg/m3) [15-minute]
WGK Germany  3
RTECS  MJ1400000
F  9-13-23
TSCA  TSCA listed
HazardClass  6.1
PackingGroup  II
HS Code  2930909099
Storage Class 3 - Flammable liquids
Hazard Classifications Flam. Liq. 3
NFPA 704:
2
2 0

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1-Heptanethiol Chemical Properties,Usage,Production

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