Basic information
- CAS
3391-90-0- Standard SMILES
CC(C)=C1CC[C@H](C)CC1=O- InChIKey
NZGWDASTMWDZIW-QMMMGPOBSA-N- Molecular formula
- C10H16O
- Average molar mass
- 152.23 g/mol
- Monoisotopic mass
- 152.12011513
Names & identifiers
- Preferred name
- Pulegone, (-)-
- IUPAC
- (5S)-5-methyl-2-propan-2-ylidenecyclohexan-1-one
- English name
- S-(-)-PULEGONE
- Molecular formula
- C10H16O
- Molecular weight
- 152.23
Names & synonyms
(-)-Pulegone3391-90-0(S)-(-)-PulegonePulegone, (-)-L-PULEGONEHL7Z89M60HCyclohexanone, 5-methyl-2-(1-methylethylidene)-, (S)-DTXSID901317958RefChem:870307DTXCID701747751625-219-4(s)-pulegone
Show more names
PULEGONE, S-(-)-(S)-(-)-Pulegone 98%S-(-)-PULEGONE WITH GC(S)-(?)-Pulegone(S)-P-MENTH-4(8)-EN-3-ONEVerapamil Hydrochloride-d3(S)-2-ISOPROPYLIDENE-5-METHYLCYCLOHEXANONE
UNII-HL7Z89M60H(5S)-5-methyl-2-propan-2-ylidenecyclohexan-1-one(5S)-5-METHYL-2-(PROPAN-2-YLIDENE)CYCLOHEXAN-1-ONE(S)-5-Methyl-2-(propan-2-ylidene)cyclohexanoneMFCD00142347S-(-)-PULEGONE(S)-5-methyl-2-(1-methylethylidene)-cyclohexane; (S)-(-)-p-Menth-4(8)-en-3-oneCHEMBL366136
Database identifiers
- CAS
3391-90-0- PubChem CID
- 638012
- DTXSID
DTXSID901317958- ChEMBL
CHEMBL366136- ChEBI
CHEBI:81226- UNII
- HL7Z89M60H
- EC Number
- 625-219-4
- Nikkaji
- J598.239A
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 197
Physicochemical properties
- Melting point
- 244 °C · 244°C
- Boiling point
- 223 · 223-224 °C
- Density
- 0.937 g/mL · 0.937 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.488(lit.)
- Flash point
- 185 °F · 185 °F
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Sparingly), Ethanol (Slightly)
- form
- Oil
- color
- Colourless
- Odor
- minty
- optical activity
- 20 · [α]20/D 22°, neat
- BRN
- 2040703 · 2040703
- Dielectric constant
- 9.5 · 9.5(20℃)
- InChI
- 1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h8H,4-6H2,1-3H3/t8-/m0/s1
- InChIKey
- NZGWDASTMWDZIW-QMMMGPOBSA-N
- SMILES
- C[C@H]1CC\C(=C(/C)C)C(=O)C1
- LogP
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]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- F
- 10-23
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- NA 1993 / PGIII
- risk_code
- 22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 16-26-36
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
Uses(S)-Pulegone is the stereoisomer of (R)-Pulegone (P840140) which is a monoterpene, commonly found in the essential oils of Nepeta cataria (Catnip).
Suppliers29 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
成都健腾生物技术有限公司028-85159085 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
江苏星科元信息科技有限公司400-605-7200 15335295587
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
上海纽雀客生物科技有限公司13916276291 · [email protected]
Aladdin Scientific[email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
Related reactions
2 records
Compound notes
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