Retinoic acid, methyl ester

Modify Date: 2025-08-27 10:19:31

Retinoic acid, methyl ester structure	Common Name	Retinoic acid, methyl ester
	CAS Number	339-16-2	Molecular Weight	314.46200
	Density	0.975g/cm3	Boiling Point	426.1ºC at 760mmHg
	Molecular Formula	C₂₁H₃₀O₂	Melting Point	66-68 °C
	MSDS	N/A	Flash Point	229.8ºC

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name	methyl (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate
Synonym	More Synonyms

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Density	0.975g/cm3
Boiling Point	426.1ºC at 760mmHg
Melting Point	66-68 °C
Molecular Formula	C₂₁H₃₀O₂
Molecular Weight	314.46200
Flash Point	229.8ºC
Exact Mass	314.22500
PSA	26.30000
LogP	5.69100
Index of Refraction	1.534
InChIKey	SREQLAJQLXPNMC-DXYSAURFSA-N
SMILES	COC(=O)C=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C
Storage condition	-20°C

This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.

CHEMICAL IDENTIFICATION

RTECS NUMBER :: VH6570000

CHEMICAL NAME :: Retinoic acid, methyl ester

CAS REGISTRY NUMBER :: 339-16-2

BEILSTEIN REFERENCE NO. :: 2059353

LAST UPDATED :: 199703

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C21-H30-O2

MOLECULAR WEIGHT :: 314.51

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 4 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: GWXXBX German Offenlegungsschrift Patent Document. (U.S. Patent and Trademark Office, Foreign Patents, Washington, DC 20231) Volume(issue)/page/year: #2128462

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Unreported

SPECIES OBSERVED :: Mammal - species unspecified

DOSE/DURATION :: 300 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1- 1967- Volume(issue)/page/year: 18,213,1984

This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.

This table lists upstream starting materials and downstream derivative products related to this chemical.

Precursor 7
CAS#:212967-48-1 methyl (2E,4E)-... CAS#:302-79-4 Retinoic acid CAS#:18107-18-1 (Trimethylsilyl... CAS#:74-88-4 methyl iodide
CAS#:67-56-1 Methanol CAS#:116-31-4 All-trans-retinal CAS#:53839-60-4 Retinoyl chloride
DownStream 3
CAS#:68-26-8 Vitamin A CAS#:13100-69-1 all-trans-5,6-e... CAS#:116-31-4 All-trans-retinal

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

Vitamin A acid methyl ester

Retinoic acid,methyl ester,all-trans

all-trans-Methylretinoate

Methyl retinoate

Ro 4-3781

all-trans-retinoic acid methyl ester

Retinoic acid,methyl ester

Methyl all-trans-retinoate

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What is the melting point of methyl (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate?

A: Melting point of methyl (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate is 66-68 °C.

Q: What are the storage conditions for methyl (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate?

A: Storage conditions for methyl (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate: -20°C.

Q: What is the InChIKey of methyl (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate?

A: InChIKey of methyl (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate is SREQLAJQLXPNMC-DXYSAURFSA-N.

Q: What is the boiling point of methyl (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate?

A: Boiling point of methyl (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate is 426.1ºC at 760mmHg.

Q: What is the CAS number of methyl (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate?

A: CAS number of methyl (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate is 339-16-2.

Q: What is the polar surface area (PSA) of methyl (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate?

A: Polar surface area (PSA) of methyl (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate is 26.30000.

Q: What are the upstream materials of methyl (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate?

A: Related upstream materials(CAS) of methyl (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate: 212967-48-1;302-79-4;18107-18-1;74-88-4;67-56-1;116-31-4;53839-60-4.

Q: What English synonyms does methyl (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate have?

A: English synonyms of methyl (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate: Vitamin A acid methyl ester, Retinoic acid,methyl ester,all-trans, all-trans-Methylretinoate, Methyl retinoate, Ro 4-3781, all-trans-retinoic acid methyl ester, Retinoic acid,methyl ester, Methyl all-trans-retinoate.

Q: What is the SMILES notation of methyl (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate?

A: SMILES notation of methyl (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate is COC(=O)C=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C.

Q: What is the English name of methyl (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate?

A: The English name of methyl (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate is methyl (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate.

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Shanghai Nianxing Industrial Co., Ltd

Dayang Chem (Hangzhou) Co., Ltd.

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Shanghai Nianxing Industrial Co., Ltd
China
Product Name: all-trans-Retinoic Acid Methyl Ester
Price: Check
Purity: 98.0%
Delivery: 10 Day
Contact: Yang
Email: sales@echemcloud.com

Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: Retinoic acid, methyl ester
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
Delivery: Inquiry
Contact: Ms Wang
Email: enquiry@dycnchem.com

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Retinoic acid, methyl ester

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HEALTH HAZARD DATA

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Synonyms

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