Basic information
- CAS
38862-65-6- Standard SMILES
CCCCCc1cc(O)cc(O)c1C(=O)OCC- InChIKey
ALCUWNWVZNZFHQ-UHFFFAOYSA-N- Molecular formula
- C14H20O4
- Average molar mass
- 252.31 g/mol
- Monoisotopic mass
- 252.13615911
Names & identifiers
- Preferred name
- Ethyl olivetolate
- IUPAC
- ethyl 2,4-dihydroxy-6-pentylbenzoate
- English name
- BENZOIC ACID, 2,4-DIHYDROXY-6-PENTYL-, ETHYL ESTER
- Molecular formula
- C14H20O4
- Molecular weight
- 252.31
Names & synonyms
ethyl 2,4-dihydroxy-6-pentylbenzoate38862-65-6ethyl olivetolateBENZOIC ACID, 2,4-DIHYDROXY-6-PENTYL-, ETHYL ESTERJLK7QTK6Y2beta-Resorcylic acid, 6-pentyl-, ethyl esterDTXSID70499528.BETA.-RESORCYLIC ACID, 6-PENTYL-, ETHYL ESTERRefChem:596350DTXCID90450338857-569-0MFCD11618127
Show more names
ethyl 2,4-dihydroxy-6-pentylbenzoate(Ethyl olivetolate)
C14H20O42,4-Dihydroxy-6-pentyl-benzoesaeure-aethylester2,4-Dihydroxy-6-pentyl-benzoic acid ethyl esterethyl 2,4-dihydroxy-6-n-pentylbenzoate2,4-dihydroxy-6-n-pentylbenzoic acid ethyl esterEthyl 2,4-Dihydroxy-6-pentylbenzoate;UNII-JLK7QTK6Y2SCHEMBL8750720
Database identifiers
- CAS
38862-65-6- PubChem CID
- 12470331
- DTXSID
DTXSID70499528- UNII
- JLK7QTK6Y2
- EC Number
- 857-569-0
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 254
Physicochemical properties
- Melting point
- 69 °C · 69 °C
- Boiling point
- 420.4 · 420.4±30.0 °C(Predicted)
- Density
- 1.131 · 1.131±0.06 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 8.3 · 8.30±0.23(Predicted)
- color
- White to Light Brown
- InChI
- InChI=1S/C14H20O4/c1-3-5-6-7-10-8-11(15)9-12(16)13(10)14(17)18-4-2/h8-9,15-16H,3-7H2,1-2H3
- InChIKey
- ALCUWNWVZNZFHQ-UHFFFAOYSA-N
- SMILES
- C(OCC)(=O)C1=C(CCCCC)C=C(O)C=C1O
- FDA UNII
- 7 QTK6Y2 · JLK7QTK6Y2
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315-H302+H312+H332
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: Ethyl 2,4-dihydroxy-6-pentylbenzoate (EC: 857-569-0)
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2918290090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335-H315-H302+H312+H332
- REACH Registrations
- Active
- Precautionary statements
- P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesEthyl Olivetolate is used for preparation of crystalline Cannabidiol for pharmaceutical formulations.
Upstream & downstream products
Upstream raw materials
Suppliers91 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
山东鑫道医药科技有限公司0546-5612566 18019700392 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海遐瑞医药科技有限公司+86-021-61551413 · [email protected]
苏州纳什医药科技有限公司13482028355 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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