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Basic information
- CAS
103404-57-5- Standard SMILES
CCCCC(O)C(O)CO- InChIKey
HXYCHJFUBNTKQR-UHFFFAOYSA-N- Molecular formula
- C7H16O3
- Average molar mass
- 148.202 g/mol
- Monoisotopic mass
- 148.10994437
Names & identifiers
- Preferred name
- Heptane-1,2,3-triol
- IUPAC
- Heptane-1,2,3-triol
- English name
- 1,2,3-Heptanetriol
- Molecular formula
- C7H16O3
- Molecular weight
- 148.2
Names & synonyms
BUTYLGLYCEROL1,2,3-Heptanetriolheptane-1,2,3-triol1,2,3-Heptanetriol,95%1,2,3-Trihydroxyheptane1,2,3-Heptanetriol{~98%}1,2,3-Heptanetriol Isomer1,2,3-HEPTANETRIOL ISOMER H1,2,3-HEPTANETRIOL ISOMER T1,2,3-HEPTANETRIOL, HIGH MELTING ISOMER
Database identifiers
- CAS
103404-57-5- PubChem CID
- 124604
- DTXSID
DTXSID40908359- ChEBI
CHEBI:67095- Nikkaji
- J803.531H
Properties
Physicochemical properties
- Melting point
- 52 · 52-55 °C(lit.)
- Boiling point
- 208.81 °C · 208.81°C (rough estimate)
- Density
- 1.01 g/mL · 1.01 g/mL at 20 °C
- refractive index
- 1.485 · 1.4850 (estimate)
- storage temp.
- 2 · 2-8°C
- form
- solid
- BRN
- 1737083 · 1737083
- InChI
- 1S/C7H16O3/c1-2-3-4-6(9)7(10)5-8/h6-10H,2-5H2,1H3
- InChIKey
- HXYCHJFUBNTKQR-UHFFFAOYSA-N
- SMILES
- CCCCC(O)C(O)CO
- UNSPSC Code
- 12162007 · 12162007
- NACRES
- 26 · NA.26
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 22 · 22-24/25
- WGK Germany
- 3 · 3
- F
- 3 · 3-10
- HS Code
- 29054900 · 29054900
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- F
- 3-10
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 29054900
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 22-24/25
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Suppliers8 total
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
斯百全化学（上海）有限公司021-021-021-67601398-809-809-809 15221380277 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
上海鼓臣生物技术有限公司021-34675735 19147740836 · [email protected]
Additional notes
DefinitionChEBI: A triol comprising heptane substituted with hydroxy groups at C-1, -2 and -3.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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