Basic information
- CAS
4798-59-8- Standard SMILES
C/C=C/C(O)CCC- InChIKey
DODCYMXUZOEOQF-UHFFFAOYSA-N- Molecular formula
- C7H14O
- Average molar mass
- 114.19 g/mol
- Monoisotopic mass
- 114.10446507
Names & identifiers
- Preferred name
- 2-Hepten-4-ol
- IUPAC
- (E)-hept-2-en-4-ol
- English name
- 2-HEPTEN-4-OL
- Molecular formula
- C7H14O
- Molecular weight
- 114.19
Names & synonyms
2-Hepten-4-ol4798-59-8RefChem:87250620-588-8DODCYMXUZOEOQF-HWKANZROSA-Nhept-2-en-4-ol(E)-hept-2-en-4-ol(2E)-2-Hepten-4-olMFCD00021932(2E)-2-Hepten-4-ol #SCHEMBL3418051SCHEMBL3418367
Show more names
2-Hepten-4-ol,98%(E)-2-Heptene-4-ol(2E)-hept-2-en-4-ol2-Hepten-4-ol, (E)+(Z), 98%1-PROPENYL N-PROPYL CARBINOL
2-Hepten-4-ol, (E)+(Z)AKOS006227992AS-76310
Database identifiers
- CAS
4798-59-8- PubChem CID
- 5366235
- EC Number
- 620-588-8
- Nikkaji
- J2.140.021A、J330.535J
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 66.8
Physicochemical properties
- Boiling point
- 152 · 152-154 °C
- Density
- 0.8539 g/cm3 · 0.8539 g/cm3(Temp: 0 °C)
- refractive index
- 1.4362 · 1.4362
- pka
- 14.77 · 14.77±0.20(Predicted)
- LogP
- 2.009 · 2.009 (est)
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Danger
- Hazard statements
- 226 · H226-H315-H319-H335
- Precautionary statements
- 210 · P210-P261-P303+P361+P353-P305+P351+P338-P405-P501a
- Risk Statements
- 10 · 10-36/37/38
- Safety Statements
- 16 · 16-26-36/37/39
- RIDADR
- 1987 · 1987
- HazardClass
- 3 · 3
- PackingGroup
- III
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
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P317, P303+P361+P353, P330, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- ridadr
- 1987
- risk_code
- 10-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07
- safety_code
- 16-26-36/37/39
- hazard_class
- 3
- packing_group
- III
- Hazard statements
- H226-H315-H319-H335
- Precautionary statements
- P210-P261-P303+P361+P353-P305+P351+P338-P405-P501a
Chemistry & industry
Suppliers5 total
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
广州市金华大化学试剂有限公司020-84383047 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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