Basic information
- CAS
3521-91-3- Standard SMILES
C=CCC(O)CCC- InChIKey
AQTUHJABKZECGA-UHFFFAOYSA-N- Molecular formula
- C7H14O
- Average molar mass
- 114.19 g/mol
- Monoisotopic mass
- 114.10446507
Names & identifiers
- Preferred name
- 1-Hepten-4-ol
- IUPAC
- hept-1-en-4-ol
- English name
- 1-HEPTEN-4-OL
- Molecular formula
- C7H14O
- Molecular weight
- 114.19
Names & synonyms
1-HEPTEN-4-OL3521-91-3EINECS 222-535-0NSC 163329AI3-28622DTXSID00871030RefChem:75868DTXCID20818705AQTUHJABKZECGA-UHFFFAOYSA-Nhept-1-en-4-olMFCD00021933NSC163329
Show more names
1-epten-4-OL1-Hepten-4-ol,98%1-HEPTEN-4-OL 97%1-Hepten-4-ol, 97+%1-Propyl-3-butene-1-olALLYL N-PROPYL CARBINOL
SCHEMBL336165SCHEMBL1906078SCHEMBL5346250SCHEMBL6406597SCHEMBL6851758AKOS009156473NSC-163329AS-76017
Database identifiers
- CAS
3521-91-3- PubChem CID
- 19040
- DTXSID
DTXSID00871030- EC Number
- 222-535-0
- Nikkaji
- J132.812C
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 59.4
Physicochemical properties
- Melting point
- 26 °C · 26°C (estimate)
- Boiling point
- 178.73 °C · 178.73°C (estimate)
- Density
- 0.8596 · 0.8596 (estimate)
- refractive index
- 1.435 · 1.4350
- pka
- 15.1 · 15.10±0.20(Predicted)
- LogP
- 2.052 · 2.052 (est)
- EPA Substance Registry System
- 1 · 1-Hepten-4-ol (3521-91-3)
- Symbol(GHS)
- 2 · GHS02,GHS07
- 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
- RIDADR
- 1987 · 1987
- TSCA
- TSCA listed
- HazardClass
- 3 · 3
- PackingGroup
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
Danger
H226 (11.4%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (11.4%)
Safety data
- tsca
- TSCA listed
- ridadr
- 1987
- risk_code
- 10-36/37/38
- Symbol(GHS)
- GHS02,GHS07
- safety_code
- 16-26-36
- 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
Uses & manufacturing
General Manufacturing Information1-Hepten-4-ol: INACTIVE
Upstream & downstream products
Downstream products
Suppliers8 total
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [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]
career henan chemical co+86-0371-86658258 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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