Cas no 96702-03-3 (Ectoine)

Ectoine is a natural osmolyte that protects cells against extreme temperatures, dehydration, and osmotic stress. This molecule stabilizes proteins and membranes, preserving cellular integrity under harsh conditions. Its use in various applications benefits from its high thermostability, low toxicity, and ability to enhance the stability of biological systems.

Ectoine structure

Product Name:Ectoine

CAS No:96702-03-3

MF:C₆H₁₀N₂O₂

MW:142.155801296234

MDL:MFCD03419286

CID:805976

PubChem ID:24894465

Update Time:2025-09-08

Ectoine Chemical and Physical Properties

Names and Identifiers

- 4-Pyrimidinecarboxylicacid, 3,4,5,6-tetrahydro-2-methyl-, (4S)-
- THP[B]
- 2-METHYL-1,4,5,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLIC ACID
- ECTOIN
- Ectoine sodium salt monohydrate
- 4-Pyrimidinecarboxylicacid,1,4,5,6-tetrahydro-2-methyl-,(4S)-(9CI)
- (S)-2-Methyl-3,4,5,6-tetrahydropyrimidine-4-carboxylic acid
- (S)-2-Methyl- 1,4,5,6-tetrahydropyrimidine-4-carboxylic acid
- Pyrostatine B
- RonaCare
- Thp(B)
- (S)-1,4,5,6-Tetrahydro-2-methyl-4-pyrimidinecarboxylic acid
- Ectoine
- NSC 614616
- Pyrostatin B
- L-Ectoine
- 7GXZ3858RY
- (4S)-2-methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylic acid
- (S)-2-Methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylic acid
- (+)-1,4,5,6-tetrahydro-2-methyl-4-pyrimidinecarboxylic acid
- SMR000127407
- Ectoine, primary pharmaceutical reference standard
- 1,4,5,6-Tetrahydro-2-methyl-4-pyrimidinecarboxyli
- (4S)-3,4,5,6-Tetrahydro-2-methyl-4-pyrimidinecarboxylic acid (ACI)
- 4-Pyrimidinecarboxylic acid, 1,4,5,6-tetrahydro-2-methyl-, (4S)- (9CI)
- 4-Pyrimidinecarboxylic acid, 1,4,5,6-tetrahydro-2-methyl-, (S)- (ZCI)
- (4S)-2-Methyl-3,4,5,6-tetrahydropyrimidine-4-carboxylic acid
- (6S)-2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid
- Ectoine (2-Methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylic acid)
- MLS001332487
- 4-Pyrimidinecarboxylic acid, 1,4,5,6-tetrahydro-2-methyl-, (+)-
- (4S)-2-methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylate
- NS00077626
- CCG-266161
- NSC-614616
- E1372
- EX-A1678
- Ectoine, >=95.0% (HPLC)
- MFCD03419286
- Ectoine, osmoprotectant
- CS-0030647
- UNII-7GXZ3858RY
- CHEMBL1230264
- I11596
- SCHEMBL93532
- DS-3343
- Q414414
- AKOS027427031
- BDBM181140
- 96702-03-3
- MLS001332488
- 4-Pyrimidinecarboxylic acid, 1,4,5,6-tetrahydro-2-methyl-, (4S)-
- ECTOINE [MI]
- ECTOINE [WHO-DD]
- AC-33942
- HY-107784
- (S)-1,4,5,6-tetrahydro-2-methyl-4-pyrimi-dinecarboxylic acid
- (6S)-2-methyl-1,4,5,6-tetrahydropyrimidin-3-ium-6-carboxylate
- ECTOIN [INCI]
- WQXNXVUDBPYKBA-YFKPBYRVSA-N
- US9138393, Ectoine
- C06231
- US9144538, Ectoine
- (4S)-3,4,5,6-Tetrahydro-2-methyl-4-pyrimidinecarboxylic acid
- s5591
- AKOS006348056
- 4CS
- DTXSID50869280
- CHEBI:27592
- (S)-2-Methyl-3,4,5,6-tetrahydropyrimidine-4 carboxylic acid
- DA-63111
- Ectoine?
- MDL： MFCD03419286
- Inchi： 1S/C6H10N2O2/c1-4-7-3-2-5(8-4)6(9)10/h5H,2-3H2,1H3,(H,7,8)(H,9,10)/t5-/m0/s1
- InChI Key： WQXNXVUDBPYKBA-YFKPBYRVSA-N
- SMILES： C([C@@H]1CCN=C(C)N1)(=O)O

Computed Properties

Exact Mass: 142.07400
Monoisotopic Mass: 142.074228
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 2
Hydrogen Bond Acceptor Count: 3
Heavy Atom Count: 10
Rotatable Bond Count: 1
Complexity: 177
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 1
Undefined Atom Stereocenter Count : 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Surface Charge: 0
Tautomer Count: 2
XLogP3: -0.8
Topological Polar Surface Area: 61.7
Molecular Weight: 142.16

Experimental Properties

Color/Form: Powder
Density: 1.37
Melting Point: ~280°
Boiling Point: 381.5℃/760mmHg
Flash Point: 184.5°C
Refractive Index: 1.596
Solubility: methanol: 20?mg/mL, clear, colorless
PSA: 61.69000
LogP: -0.38430
Specific Rotation: D20 +140° (c = 1.0 in methanol)
Merck: 3505
Solubility: Not determined

Ectoine Security Information

Hazardous Material transportation number：NONH for all modes of transport
WGK Germany：1
Hazard Category Code： 36/37/38
Safety Instruction： S26-S37/39
Hazardous Material Identification：
Risk Phrases：R36/37/38
Storage Condition：Store at room temperature, 2-8 ℃ is better

Ectoine Pricemore >>

Related Categories	No.	Product Name	Cas No.	Purity	Specification	Price	update time
SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd.	E305040-100g	Ectoine	96702-03-3	≥97%	100g	￥1404.90	2023-09-03
SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd.	E305040-1g	Ectoine	96702-03-3	≥97%	1g	￥37.90	2023-09-03
SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd.	E305040-25g	Ectoine	96702-03-3	≥97%	25g	￥404.90	2023-09-03
SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd.	E305040-250mg	Ectoine	96702-03-3	≥97%	250mg	￥29.90	2023-09-03
SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd.	E305040-5g	Ectoine	96702-03-3	≥97%	5g	￥102.90	2023-09-03
Alichem	A089004868-5g	(S)-2-Methyl-3,4,5,6-tetrahydropyrimidine-4-carboxylic acid	96702-03-3	97%	5g	$176.75	2023-08-31
Alichem	A089004868-10g	(S)-2-Methyl-3,4,5,6-tetrahydropyrimidine-4-carboxylic acid	96702-03-3	97%	10g	$270.30	2023-08-31
S e l l e c k ZHONG GUO	S5591-25mg	Ectoine	96702-03-3	99.11%	25mg	￥795.38	2023-09-15
Chemenu	CM167894-5g	(S)-2-methyl-3,4,5,6-tetrahydropyrimidine-4-carboxylic acid	96702-03-3	97%	5g	$179	2021-08-05
Chemenu	CM167894-10g	(S)-2-methyl-3,4,5,6-tetrahydropyrimidine-4-carboxylic acid	96702-03-3	97%	10g	$248	2021-08-05

Ectoine Production Method

Production Method 1

1445-45-0

1883-09-6

96702-03-3

Reaction Conditions

1.1 Reagents: Sodium methoxide Solvents: Methanol

Reference

: Preparation of tetrahydro-2-methyl-4-pyrimidinecarboxylic acids

, Japan, , ,

Production Method 2

169769-97-5

96702-03-3

Reaction Conditions

1.1 Reagents: Sodium ethoxide Solvents: Ethanol ; 5 h, heated

Reference

: Method of synthesizing micromolecular amino acid derivative Ectoine

, China, , ,

Production Method 3

3792-50-5

56-81-5

96702-03-3

Reaction Conditions

1.1 Reagents: Potassium chloride Solvents: Water ; 24 h, pH 7.0, 30 °C

Reference

: Method for producing ectoine by using recombinant Escherichia coli KuitVnectABC and purification method thereof

, China, , ,

Production Method 4

169769-98-6

96702-03-3

Reaction Conditions

1.1 Reagents: Triethylamine Solvents: 1-Butanol

Reference

: Synthesis of 2,4,5,6-tetrahydro-2-methyl-4-pyrimidinecarboxylic acid: osmoprotector amino acid

Himdi-Kabab, Souad; Lavrador, Karine; Bazureau, Jean Pierre; Hamelin, Jack, Synthetic Communications, 1995, 25(15), 2223-7

Production Method 5

56-85-9

62234-29-1

96702-03-3

Reaction Conditions

1.1 Reagents: Trimethyl orthoformate Solvents: Methanol ; 12 - 16 h, rt → reflux

Reference

: Synthetic method of (S)-2-methyl-1,4,5,6-tetrahydromethylpyrimidine-4-carboxylic acid

, China, , ,

Production Method 6

50-99-7

142-47-2

96702-03-3

Reaction Conditions

1.1 Reagents: Oxygen Solvents: Water ; 20 h

Reference

: Metabolic flux analysis and optimal control in the process of ectoine fermentation

Zhang, Linhua; Zheng, Xin; Lang, Yajun, Advanced Materials Research (Durnten-Zurich, 2012, (2012), 393-395

Production Method 7

2208-07-3

1758-80-1

96702-03-3

Reaction Conditions

1.1 Reagents: Triethylamine Solvents: Methanol ; 24 h, reflux

Reference

: Method for the preparation of ectoin

, Korea, , ,

Production Method 8

305-84-0

96702-03-3

Reaction Conditions

1.1 Reagents: Oxygen ; 36 h, pH 7.0, 32 °C

Reference

: Application of recombinant Bacillus subtilis in the production of tetrahydropyrimidine from wastewater from enzymatic synthesis of carnosine and synthesis method thereof

, China, , ,

Production Method 9

3792-50-5

56-81-5

96702-03-3

Reaction Conditions

1.1 Reagents: Potassium chloride Solvents: Water ; 24 h, pH 6.5, 40 °C

Reference

: Metabolic Pathway Construction and Optimization of Escherichia coli for High-Level Ectoine Production

Chen, Jun; Liu, Pengfu; Chu, Xiaohe; Chen, Jianwei; Zhang, Huawei; et al, Current Microbiology, 2020, 77(8), 1412-1418

Production Method 10

50-99-7

96702-03-3

Reaction Conditions

1.1 Reagents: Ammonium hydroxide Solvents: Water ; < 56 h, pH 7.0, 30 °C

Reference

: Metabolic Engineering of Corynebacterium glutamicum for High-Level Ectoine Production: Design, Combinatorial Assembly, and Implementation of a Transcriptionally Balanced Heterologous Ectoine Pathway

Giesselmann, Gideon; Dietrich, Demian; Jungmann, Lukas; Kohlstedt, Michael; Jeon, Eun J.; et al, Biotechnology Journal, 2019, 14(9),

Production Method 11

50-99-7

96702-03-3

Reaction Conditions

1.1 Catalysts: Aspartate kinase ; pH 7, 36 °C

Reference

: Pathway construction and metabolic engineering for fermentative production of ectoine in Escherichia coli

Ning, Yike; Wu, Xuejiao; Zhang, Chenglin; Xu, Qingyang; Chen, Ning; et al, Metabolic Engineering, 2016, 36, 10-18

Production Method 12

1190-46-1

112229-30-8

96702-03-3

Reaction Conditions

1.1 Reagents: Triethylamine Solvents: 1-Butanol ; 48 h, 80 °C

Reference

: Artificial method for preparation of 1,4,5,6-tetrahydro-2-methyl-4-pyrimidine carboxylic acid

, China, , ,

Production Method 13

56-84-8

96702-03-3

Reaction Conditions

Reference

: The production of the ectoines (1,4,5,6-tetrahydro-2-methyl-4-pyrimidine carboxylic acid and 1,4,5,6-tetrahydro-2-methyl-5-hydroxy-4 pyrimidine carboxylic acid) by a recombinant Escherichia coli in a low salt medium.

, Germany, , ,

Ectoine Raw materials

Ectoine Preparation Products

Ectoine (96702-03-3)

Ectoine Suppliers

Tiancheng Chemical (Jiangsu) Co., Ltd

Gold Member

Audited Supplier

(CAS:96702-03-3)四氫甲基嘧啶羧酸

Order Number:LE24968883;LE18313;LE5912

Stock Status:in Stock

Quantity:25KG,200KG,1000KG

Purity:99%

Pricing Information Last Updated:Friday, 20 June 2025 12:48

Price ($):discuss personally

Email:[email protected]

Suzhou Senfeida Chemical Co., Ltd

Gold Member

Audited Supplier

(CAS:96702-03-3)Ectoine

Order Number:sfd9944

Stock Status:in Stock

Quantity:200kg

Purity:99.9%

Pricing Information Last Updated:Friday, 19 July 2024 14:35

Price ($):discuss personally

Email:[email protected]

Product Official Link

Shanghai Joy Biotech Ltd

Gold Member

Audited Supplier

(CAS:96702-03-3)Ectoine

Order Number:JY001

Stock Status:in Stock

Quantity:100g;1kg;10kg;25kg

Purity:98%

Pricing Information Last Updated:Thursday, 30 October 2025 14:56

Price ($):discuss personally

Email:[email protected]

Product Official Link

Ectoine Spectrogram

13C NMR

MS-MS

1H NMR

300 MHz

DMSO

Ectoine Related Literature

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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
2. Excimer–monomer switch: a reaction-based approach for selective detection of fluoride?

Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
3. Fe(ii)-Assisted one-pot synthesis of ultra-small core–shell Au–Pt nanoparticles as superior catalysts towards the HER and ORR?

Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
4. Establishing new scaling relations on two-dimensional MXenes for CO2 electroreduction?

Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
5. Esterase-responsive polymeric prodrug-based tumor targeting nanoparticles for improved anti-tumor performance against colon cancer?

Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119

Related Categories

Solvents and Organic Chemicals Organic Compounds Organic acids and derivatives Carboxylic acids and derivatives L-alpha-amino acids

96702-03-3 (Ectoine) Related Products

Recommended suppliers

Tiancheng Chemical (Jiangsu) Co., Ltd

(CAS:96702-03-3)四氫甲基嘧啶羧酸

Purity:99%/99%/99%

Quantity:25KG,200KG,1000KG/25KG,200KG,1000KG/25KG,200KG,1000KG

Price ($):Inquiry/Inquiry/Inquiry

Suzhou Senfeida Chemical Co., Ltd

(CAS:96702-03-3)Ectoine

Purity:99.9%

Quantity:200kg

Price ($):Inquiry

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Cas no 96702-03-3 (Ectoine)

Ectoine Chemical and Physical Properties

Names and Identifiers

Computed Properties

Experimental Properties

Ectoine Security Information

Ectoine Pricemore >>

Ectoine Production Method

Production Method 1

Production Method 2

Production Method 3

Production Method 4

Production Method 5

Production Method 6

Production Method 7

Production Method 8

Production Method 9

Production Method 10

Production Method 11

Production Method 12

Production Method 13

Ectoine Raw materials

Ectoine Preparation Products

Ectoine Suppliers

Ectoine Spectrogram

Ectoine Related Literature

Related Categories

96702-03-3 (Ectoine) Related Products