Basic information
- CAS
20126-76-5- Standard SMILES
CC1=CC[C@@](O)(C(C)C)CC1- InChIKey
WRYLYDPHFGVWKC-JTQLQIEISA-N- Molecular formula
- C10H18O
- Average molar mass
- 154.25 g/mol
- Monoisotopic mass
- 154.13576519
Overview
P-Meth-1-en-4-OL is a p-menthane monoterpenoid.
Names & identifiers
- Preferred name
- 4-Terpineol, (-)-
- IUPAC
- (1R)-4-methyl-1-propan-2-ylcyclohex-3-en-1-ol
- English name
- (-)-TERPINEN-4-OL
- Molecular formula
- C10H18O
- Molecular weight
- 154.25
Names & synonyms
(-)-Terpinen-4-ol20126-76-5(-)-4-Terpineol3-Cyclohexen-1-ol, 4-methyl-1-(1-methylethyl)-, (1R)-4-Terpinenol, L-(R)-Terpinen-4-ol(R)-4-Carvomenthenol4-Terpineol, (-)-p-Menth-1-en-4-ol, (R)-(-)-4-Carvomenthenol, (-)-(R)-(-)-p-Menth-1-en-4-ol(1R)-4-methyl-1-propan-2-ylcyclohex-3-en-1-ol
Show more names
L-4-terpineneolL-4-terpineolL-terpinen-4-olP-MENTH-1-EN-4-OL(?)-Terpinen-4-olp-Mentha-1-ene-4α-ol(-)-Terpinen-4-ol>
3-Cyclohexen-1-ol, 4-methyl-1-(1-methylethyl)-, (R)-8VI196VS5T(R)-4-Methyl-1-(1-methylethyl)-3-cyclohexen-1-ol(1R)-4-Methyl-1-(1-methylethyl)-3-cyclohexen-1-olDTXSID101033857RefChem:526749DTXCID101518629629-645-1
Database identifiers
- CAS
20126-76-5- PubChem CID
- 5325830
- DTXSID
DTXSID101033857
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 170
Physicochemical properties
- Melting point
- 208 · 208~210℃
- Boiling point
- 212 °C · 212 °C
- Density
- 0.934 g/mL · 0.934 g/mL at 20 °C
- vapor pressure
- 64 · 64-349Pa at 20-50℃
- refractive index
- 1.476 · 1.476-1.482
- Flash point
- 90 °C · 90 °C
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Liquid
- pka
- 14.94 · 14.94±0.40(Predicted)
- color
- Clear colorless to yellow
- optical activity
- 20 · [α]20/D -35±5°, c = 1 in chloroform
- InChI
- 1S/C10H18O/c1-8(2)10(11)6-4-9(3)5-7-10/h4,8,11H,5-7H2,1-3H3/t10-/m0/s1
- InChIKey
- WRYLYDPHFGVWKC-JTQLQIEISA-N
- SMILES
- CC(C)[C@@]1(O)CCC(C)=CC1
- LogP
- 2.97 at · 2.97 at 22.7℃
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Hazard information
Regulatory InformationREACH registered substance: (1R)-1-isopropyl-4-methyl-cyclohex-3-en-1-ol (EC: 943-985-0)
Hazard Classes and Categories
Acute Tox. 4 (100%)
Acute Tox. 4 (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- NA 1993 / PGIII
- hs_code
- 29061900
- risk_code
- 36/37/38-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 37/39-26
- hazard_class
- 3
- Storage Class
- 10 - Combustible liquids
Chemistry & industry
Applications
Uses(-)-Terpinen-4-ol has been used as a standard for the determination of the composition of Lavandula stoechas essential oil by fast gas chromatography-electronic impact ionization/mass spectrometry (FGC-EI/MS).
General DescriptionTerpinen-4-ol, a monoterpenoid alcohol, is the key constituent of tea tree (Melaleuca alternifolia) oil.
Suppliers76 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕合生物化学技术有限公司13816464724 15900990114 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
上海哲研生物科技有限公司021-18017610038 18017610038 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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