Basic information
- CAS
502-41-0- Standard SMILES
OC1CCCCCC1- InChIKey
QCRFMSUKWRQZEM-UHFFFAOYSA-N- Molecular formula
- C7H14O
- Average molar mass
- 114.19 g/mol
- Monoisotopic mass
- 114.10446507
Names & identifiers
- Preferred name
- Cycloheptanol
- IUPAC
- cycloheptanol
- English name
- Cycloheptanol
- Molecular formula
- C7H14O
- Molecular weight
- 114.19
Names & synonyms
CYCLOHEPTANOL502-41-0EINECS 207-936-0NSC 52221AI3-36515DTXSID5074713RefChem:580330DTXCID2040787207-936-0SuberolHydroxycycloheptaneSuberyl Alcohol
Show more names
Cycloheptanol >Cycloheptanol 97%Cycloheptanol,95%Cycloheptanol,99%Cycloheptane-1-olCycloheptanol, 98+%
MFCD000041501-cycloheptanolCycloheptanol, 97%NSC52221NSC-52221SY015813D89285Q20054513
Database identifiers
- CAS
502-41-0- PubChem CID
- 10399
- DTXSID
DTXSID5074713- ChEMBL
CHEMBL503332- EC Number
- 207-936-0
- Nikkaji
- J11.688B
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 53.4
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
LogP1.83
Physicochemical properties
- Melting point
- 7.2 °C · 7.2°C
- Boiling point
- 185 °C · 185 °C (lit.)
- Density
- 0.948 g/mL · 0.948 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.477(lit.)
- Flash point
- 160 °F · 160 °F
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- Chloroform (Sparingly), Methanol (Slightly)
- form
- Oil
- pka
- 15.31 · 15.31±0.20(Predicted)
- color
- Colourless
- Specific Gravity
- 0.948 · 0.948
- Water Solubility
- immiscible
- BRN
- 2036375 · 2036375
- Henry's Law Constant
- 4.6 · 4.6×100 mol/(m3Pa) at 25℃, Plyasunov and Shock (2000)
- InChI
- 1S/C7H14O/c8-7-5-3-1-2-4-6-7/h7-8H,1-6H2
- InChIKey
- QCRFMSUKWRQZEM-UHFFFAOYSA-N
- SMILES
- OC1CCCCCC1
- LogP
- 1.9 · 1.900 (est)
- CAS DataBase Reference
- 502 · 502-41-0(CAS DataBase Reference)
- NIST Chemistry Reference
- Cycloheptanol(502-41-0)
- EPA Substance Registry System
- Cycloheptanol (502-41-0)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 227 · H227
- Precautionary statements
- 210 · P210-P280-P370+P378-P403+P235-P501
- PPE
- Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
- Hazard Codes
- Xi
- Safety Statements
- 23 · 23-24/25
- RIDADR
- 1987 · UN 1987 3/PG 3
- WGK Germany
- 3 · 3
- Hazard Note
- Irritant
- HazardClass
- 3 · 3
- HS Code
- 29061900 · 29061900
- Storage Class
- 10 · 10 - Combustible liquids
- Limited Quantities
- 5 L · 5.0 L (1.3 gallons) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
GHS classification
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationCycloheptanol: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- PPE
- Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
- wgk
- 3
- ridadr
- UN 1987 3/PG 3
- hs_code
- 29061900
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 23-24/25
- hazard_class
- 3
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H227
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Precautionary statements
- P210-P280-P370+P378-P403+P235-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
常州帝通化工有限公司+86-0519-88298848 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
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TCI AMERICA800-4238616 · [email protected]
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TCI Europe320-37350700 · [email protected]
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广州爱纯医药科技有限公司020-39119399 18927568969 · [email protected]
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河南赢创生物科技有限公司15672878902 · [email protected]
上海湄水化工科技有限公司021-60549325 18616193163
安徽科迪达化工有限公司0554-2106669 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
台州川旭医药科技有限公司[email protected] · [email protected]
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Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海昕凯医药科技有限公司21-619849051-1 18521059765 · [email protected]
诺尔凯立科技有限公司86-(0)21-31261262 373522135 · [email protected]
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Related reactions
41 records
Compound notes
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