Basic information
- CAS
16052-40-7- Standard SMILES
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1C(=O)O- InChIKey
MNVSUVYRIVXDBK-KXUCPTDWSA-N- Molecular formula
- C11H20O2
- Average molar mass
- 184.27 g/mol
- Monoisotopic mass
- 184.14632988
Names & identifiers
- Preferred name
- p-Menthane-3-carboxylic acid, (1R,3R,4S)-
- IUPAC
- (1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexane-1-carboxylic acid
- English name
- [1R-(1alpha,2beta,5alpha)]-2-(isopropyl)-5-methylcyclohexanecarboxylic acid
- Molecular formula
- C11H20O2
- Molecular weight
- 184.28
Names & synonyms
16052-40-7Cyclohexanecarboxylic acid, 5-methyl-2-(1-methylethyl)-, (1R,2S,5R)-p-Menthane-3-carboxylic acid, (1R,3R,4S)-EINECS 240-199-319IQ88IBRIDTXSID40884866(1R,3R,4S)-p-menthane-3-carboxylic acidp-Menthane-3-carboxylic acid, (1R,3R,4S)-(-)-CYCLOHEXANECARBOXYLIC ACID, 5-METHYL-2-(1-METHYLETHYL)-, (1R-(1.ALPHA.,2.BETA.,5.ALPHA.))-RefChem:858110DTXCID001024287Cyclohexanecarboxylic acid, 5-methyl-2-(1-methylethyl)-, (1R-(1alpha,2beta,5alpha))-
Show more names
Menthyl carboxylic acid(1R,2S,5R)-2-isopropyl-5-methylcyclohexane-1-carboxylic acid[1R-(1α,2β,5α)]-2-(isopropyl)-5-methylcyclohexanecarboxylic acidCooling agent WS-1Acoltremon Impurity 3
(1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexanecarboxylic acid(1R,2S,5R)-2-Isopropyl-5-methylcyclohexanecarboxylic acid(1R,2S,5R)-2-Isopropyl-5-methyl-cyclohexanecarboxylic acidMFCD00798812(-)-Menthylformic acidL-menthol carboxylic acid(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexane-1-carboxylic acid(-)-(1R,3R,4S )-4-Isopropyl-1-methylcyclohexane-3-carboxylic acid
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 187
Physicochemical properties
- Melting point
- 66 · 66-69°
- Boiling point
- 271 ℃ · 271℃
- Density
- 0.965 · 0.965
- Flash point
- 132 ℃ · 132℃
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 5.19 · 5.19±0.31(Predicted)
- Appearance
- White to off-white Solid
- FDA UNII
- 19 IQ88IBRI · 19IQ88IBRI
- EPA Substance Registry System
- 5 · Cyclohexanecarboxylic acid, 5-methyl-2-(1-methylethyl)-, (1R,2S,5R)- (16052-40-7)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H332-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P
- TSCA
- TSCA listed
- HS Code
- 2916200090 · 2916200090
- REACH Registrations
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
This chemical does not meet GHS hazard criteria for 68.8% (11 of 16) of all reports.
Danger
H302+H332 (12.5%): Harmful if swallowed or if inhaled [Warning Acute toxicity, oral; acute toxicity, inhalation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P304+P340, P305+P351+P338, P305+P354+P338, P317, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 16 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: [1R-(1α,2β,5α)]-2-(isopropyl)-5-methylcyclohexanecarboxylic acid (EC: 240-199-3)
Hazard Classes and CategoriesAcute Tox. 4 (25%)
Safety data
- tsca
- TSCA listed
- hs_code
- 2916200090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302+H332-H319
- REACH Registrations
- Active
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationCyclohexanecarboxylic acid, 5-methyl-2-(1-methylethyl)-, (1R,2S,5R)-: ACTIVE
Suppliers56 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海达立康医药科技有限公司18658316824 · [email protected]
宁波振岳医药科技有限公司19817745290 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
沧州辉映医药科技有限责任公司15532866377 · [email protected]
上海钰康生物科技有限公司+86-18930848214 +86-021-56762820 · [email protected]
上海泰坦科技股份有限公司4006009262 13023226327 · [email protected]
上海梅凯科技有限公司021-68689288 15300790979 · [email protected]
湖北魏氏化学试剂股份有限公司17771898297 13125137661 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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