1,7-Heptanediol
Basic information
- CAS
629-30-1- Standard SMILES
OCCCCCCCO- InChIKey
SXCBDZAEHILGLM-UHFFFAOYSA-N- Molecular formula
- C7H16O2
- Average molar mass
- 132.2 g/mol
- Monoisotopic mass
- 132.11502975
Names & identifiers
- Preferred name
- 1,7-Heptanediol
- IUPAC
- heptane-1,7-diol
- English name
- 1,7-Heptanediol
- Molecular formula
- C7H16O2
- Molecular weight
- 132.2
Names & synonyms
1,7-HEPTANEDIOL629-30-1Heptane-1,7-diol1,7-DihydroxyheptaneAI3-11199D3WFS2RR58NSC-3821DTXSID90212074RefChem:73698DTXCID90134565211-085-0Heptamethylene glycol
Show more names
α,ω-heptanediolα,ω-heptanediol1,7-heptanedioleomega-Heptanediol1,7-Heptanediol>1,7-HEPTANEDIOL 95%heptamethylenglycol1,7-Heptanediol,98%
MFCD00002987NSC 38211,7-HEPTANE-DIOL1,7-Heptanediol, 95%.alpha.,.omega.-HeptanediolheptamethylenediolAKOS015904392CS-W013404
Database identifiers
- CAS
629-30-1- PubChem CID
- 12381
- DTXSID
DTXSID90212074- UNII
- D3WFS2RR58
- EC Number
- 211-085-0
- Nikkaji
- J95.485C
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 40.2
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Melting point
- 17 · 17-19 °C (lit.)
- Boiling point
- 259 °C · 259 °C (lit.)
- Density
- 0.951 g/mL · 0.951 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.455(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Liquid After Melting
- pka
- 14.89 · 14.89±0.10(Predicted)
- color
- Clear colorless to yellow
- Water Solubility
- Soluble in water, slightly soluble in ether.
- BRN
- 1633482 · 1633482
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 75% (3 of 4) of all reports.
Warning
H319 (25%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2A (25%)
Safety data
- PPE
- Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
- wgk
- 3
- rtecs
- MI9804000
- hs_code
- 29053980
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses1,7-Heptanediol is used in agrochemical, pharmaceutical and dyestuff field .
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers
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Related reactions
14 records
Compound notes
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