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Propanoic acid, 2-hydroxy-, 5-methyl-2-(1-methylethyl)cyclohexyl ester

HCID 28358
NotesReactions
Basic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
17162-29-7
Standard SMILES
CC1CCC(C(C)C)C(OC(=O)C(C)O)C1
InChIKey
UJNOLBSYLSYIBM-UHFFFAOYSA-N
Molecular formula
C13H24O3
Average molar mass
228.33 g/mol
Monoisotopic mass
228.17254462

Overview

Menthyl lactate is a p-menthane monoterpenoid.

Names & identifiers

Preferred name
Propanoic acid, 2-hydroxy-, 5-methyl-2-(1-methylethyl)cyclohexyl ester
IUPAC
(5-methyl-2-propan-2-ylcyclohexyl) 2-hydroxypropanoate
English name
Menthyl lactate
Molecular formula
C13H24O3
Molecular weight
228.33

Names & synonyms

Propanoic acid, 2-hydroxy-, 5-methyl-2-(1-methylethyl)cyclohexyl ester5-Methyl-2-(1-methylethyl)cyclohexyl lactateEINECS 241-218-8RefChem:869209241-218-817162-29-72-Isopropyl-5-methylcyclohexyl 2-hydroxypropanoate(-)-menthyl lactate5-methyl-2-(propan-2-yl)cyclohexyl 2-hydroxypropanoate(5-methyl-2-propan-2-ylcyclohexyl) 2-hydroxypropanoateMFCD005896391-Methyl-4-isopropyl-3-(2-hydroxypropionate)cyclohexanol
Show more names
Menthyl LaCLateMenthyl lactateLactate MenthylLactic acid impurity 41Menthyl lactate USP/EP/BPmenthyl lactate 17162-29-7Natural Menthyl lactate2-Isopropyl-5-methylcyclohexyl lactate2-Hydroxypropionic acid 2-isopropyl-5-methylcyclohexyl ester
SCHEMBL81703(2-isopropyl-5-methyl-cyclohexyl) 2-hydroxypropanoateDTXSID00864740CHEBI:174175BBL018839STK043854AKOS005384179SB48020

Database identifiers

CAS
17162-29-7
PubChem CID
28358
DTXSID
DTXSID00864740
ChEBI
CHEBI:174175
EC Number
241-218-8
Nikkaji
J318.165K

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
46.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
16
Formal charge
0
Complexity
237

Experimental & physicochemical properties

FragrancesFragrance Ingredient (5-Methyl-2-(1-methylethyl)cyclohexyl lactate) -> IFRA transparency List

Physicochemical properties

Boiling point
304 · 304.0±15.0 °C(Predicted)
Density
0.99 · 0.99±0.1 g/cm3(Predicted)
pka
13.01 · 13.01±0.20(Predicted)
Odor
mild cooling odor, sweet menthol taste
InChI
InChI=1S/C13H24O3/c1-8(2)11-6-5-9(3)7-12(11)16-13(15)10(4)14/h8-12,14H,5-7H2,1-4H3
InChIKey
UJNOLBSYLSYIBM-UHFFFAOYSA-N
SMILES
C(OC1CC(C)CCC1C(C)C)(=O)C(O)C
LogP
3.358 · 3.358 (est)
EWG's Food Scores
1 · 1
FDA UNII
2 BF9E65L7I · 2BF9E65L7I
EPA Substance Registry System
2 · Propanoic acid, 2-hydroxy-, 5-methyl-2-(1-methylethyl)cyclohexyl ester (17162-29-7)
Hazard statements
412 · H412
Precautionary statements
273 · P273-P501
TSCA
TSCA listed

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 · 4 items

This chemical does not meet GHS hazard criteria for 7.5% (80 of 1060) of reports.

H412 (92.5%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P273, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1060 reports by companies from 2 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory Information · 2 items

Chemical: Propanoic acid, 2-hydroxy-, 5-methyl-2-(1-methylethyl)cyclohexyl ester

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Other Safety InformationIMAP assessments - Propanoic acid, 2-hydroxy-, 5-methyl-2-(1-methylethyl)cyclohexyl ester: Human health tier I assessment
Hazard Classes and CategoriesAquatic Chronic 3 (92.5%)

Safety data

tsca
TSCA listed
Hazard statements
H412
Precautionary statements
P273-P501

Chemistry & industry

Uses & manufacturing

Use Classification · 2 items

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing InformationPropanoic acid, 2-hydroxy-, 5-methyl-2-(1-methylethyl)cyclohexyl ester: ACTIVE

Applications

Usesmenthyl lactate is a fragrance component. This is the ester of menthol and lactic acid.

Suppliers100 total

郑州阿尔法化工有限公司+86-18530059196 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
湖北威德利化学试剂有限公司186-02735115 18062128043 · [email protected]
深圳市星凯越生物科技有限公司0755-18589069862 18589069862 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]
南京凯天化工有限公司+86 (25) 5860-8846 · [email protected]
吉安市国光香料厂18607067153 18607067153
湖北辰心化工有限公司18696113233 · [email protected]
Syntechem Co.,Ltd[email protected]
湖南瑞威尔生物科技有限公司18627957289 18173226957 · [email protected]
湖北威德利化学试剂有限公司17771473825 13385289472 · [email protected]
上海晶抗生物工程有限公司021-54721350 13524668266 · [email protected]
江西瑞威尔生物科技有限公司18502762009 · [email protected]
武汉市聚舜化工有限公司027-02783261126 18971318572 · [email protected]
山东穗泰生物科技有限公司15689727968 · [email protected]
梯希爱(上海)化工贸易有限公司021-61109150 · [email protected]
广东云星生物技术有限公司0751-18902340975/189023400307 18902340307 · [email protected]
西安康诺化工有限公司029-86107037-8014 18292830413 · [email protected]
江西鑫森天然植物油有限公司0796-8284836 17379666713 · [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]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
广东谦进化学试剂有限公司0751-2818792 13435114148 · [email protected]
湖北成海化工有限公司027-59220433 18327245847 · [email protected]
湖南汇百侍生物科技有限公司0731-85526065 13308475853 · [email protected]
武汉吉业升化工有限公司027-13545242311 13545242311 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
武汉卡诺斯科技有限公司153-37111468 15337111468 · [email protected]
吉水县益康天然香料油提炼厂0796-8128936 19070600085 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
江西雪松天然药用油有限公司18679669723
湖北巨胜科技有限公司027-59599241 18871490274 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
湖北威德利化学试剂有限公司18327179646 · [email protected]
上海谱振生物科技有限公司4001650900 13817534909 · [email protected]
广东翁江化学试剂有限公司0751-2815987 13927875076 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
泰安嘉岳生物化工有限公司15318151873 · [email protected]
湖北辰心化工有限公司17362916295 · [email protected]
Shanghai Yunao International Trade Co., Ltd+86-17621705551 · [email protected]
南京择优新材料科技有限公司173-40521416 17340521416 · [email protected]
北京华威锐科化工科技有限公司89508211 18501085097 · [email protected]
湖南瑞威尔生物科技有限公司18086085632 · [email protected]
湖北齐飞医药化工有限公司027-59322506 18071128681 · [email protected]
武汉克米克生物医药技术有限公司027-13163388153 13163388153 · [email protected]
上海超岚化工科技中心(原上海巢莱)0-2022843681 15618226720 · [email protected]

Additional notes

DefinitionChEBI: Menthyl lactate is a p-menthane monoterpenoid.

Related reactions

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Compound notes

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On this pageBasic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes