Lily aldehyde

Modify Date: 2026-07-01 18:48:19

Lily aldehyde structure	Common Name	Lily aldehyde
	CAS Number	80-54-6	Molecular Weight	204.308
	Density	0.9±0.1 g/cm3	Boiling Point	277.7±9.0 °C at 760 mmHg
	Molecular Formula	C₁₄H₂₀O	Melting Point	N/A
	MSDS	Chinese USA	Flash Point	120.9±10.2 °C
	Symbol	GHS07, GHS08, GHS09	Signal Word	Warning

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

Name	3-(4-(Tert-butyl)phenyl)-2-methylpropanal
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	0.9±0.1 g/cm3
Boiling Point	277.7±9.0 °C at 760 mmHg
Molecular Formula	C₁₄H₂₀O
Molecular Weight	204.308
Flash Point	120.9±10.2 °C
Exact Mass	204.151413
PSA	17.07000
LogP	4.07
Vapour Pressure	0.0±0.6 mmHg at 25°C
Index of Refraction	1.491
InChIKey	SDQFDHOLCGWZPU-UHFFFAOYSA-N
SMILES	CC(C=O)Cc1ccc(C(C)(C)C)cc1
Storage condition	2-8°C

This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.

Lily aldehyde MSDS(Chinese)

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

CHEMICAL IDENTIFICATION

RTECS NUMBER :: MW4895000

CHEMICAL NAME :: Hydrocinnamaldehyde, p-tert-butyl-alpha-methyl-

CAS REGISTRY NUMBER :: 80-54-6

BEILSTEIN REFERENCE NO. :: 0880140

LAST UPDATED :: 199710

DATA ITEMS CITED :: 9

MOLECULAR FORMULA :: C14-H20-O

MOLECULAR WEIGHT :: 204.34

WISWESSER LINE NOTATION :: VHY1&1R DX1&1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 16,659,1978 ** ACUTE TOXICITY DATA **

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 3700 mg/kg

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

REFERENCE :: FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 16,659,1978 ** REPRODUCTIVE DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 500 mg/kg

SEX/DURATION :: male 5 day(s) pre-mating

TOXIC EFFECTS :: Reproductive - Paternal Effects - testes, epididymis, sperm duct

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0524035-3

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Administration onto the skin

DOSE :: 10 gm/kg

SEX/DURATION :: male 5 day(s) pre-mating

TOXIC EFFECTS :: Reproductive - Paternal Effects - testes, epididymis, sperm duct

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0524035-3 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 83218 No. of Facilities: 21 (estimated) No. of Industries: 1 No. of Occupations: 19 No. of Employees: 2073 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 83218 No. of Facilities: 2349 (estimated) No. of Industries: 13 No. of Occupations: 26 No. of Employees: 34278 (estimated) No. of Female Employees: 20486 (estimated)

This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.

Symbol	GHS07, GHS08, GHS09
Signal Word	Warning
Hazard Statements	H302-H315-H317-H361-H411
Precautionary Statements	P201-P273-P280-P308 + P313-P333 + P313-P391
Personal Protective Equipment	Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes	Xn:Harmful
Risk Phrases	R22;R38;R51/53
Safety Phrases	S60
RIDADR	UN 3082 9/PG 3
WGK Germany	2
RTECS	MW4895000
Hazard Class	9.0
HS Code	2912291000

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#:13586-68-0 p-tert-butyl-2-... CAS#:84472-74-2 diethyl[[3-[4-(... CAS#:18880-00-7 4-tert-Butylben... CAS#:123-38-6 Propionaldehyde
CAS#:35779-04-5 1-Iodo-4-(2-met... CAS#:78-85-3 Methylpropenal CAS#:84454-49-9 1-(4-(tert-buty...
DownStream 2
CAS#:67306-03-0 fenpropimorph CAS#:56107-04-1 Benzenepropanol...

This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.

HS Code	2912291000
Summary	2912291000. VAT:17.0%. Tax rebate rate:9.0%. . MFN tariff:5.5%. General tariff:30.0%

This table lists relevant public references with title, journal and publication metadata for this compound.

Oestrogenic activity of benzyl salicylate, benzyl benzoate and butylphenylmethylpropional (Lilial) in MCF7 human breast cancer cells in vitro.

J. Appl. Toxicol. 29(5) , 422-34, (2009)

Benzyl salicylate, benzyl benzoate and butylphenylmethylpropional (Lilial) are added to bodycare cosmetics used around the human breast. We report here that all three compounds possess oestrogenic act...

Odorants selectively activate distinct G protein subtypes in olfactory cilia.

J. Biol. Chem. 273(27) , 16669-77, (1998)

Chemoelectrical signal transduction in olfactory neurons appears to involve intracellular reaction cascades mediated by heterotrimeric GTP-binding proteins. In this study attempts were made to identif...

Blocking adenylyl cyclase inhibits olfactory generator currents induced by "IP(3)-odors".

J. Neurophysiol. 84(1) , 575-80, (2000)

Vertebrate olfactory receptor neurons (ORNs) transduce odor stimuli into electrical signals by means of an adenylyl cyclase/cAMP second messenger cascade, but it remains widely debated whether this cA...

This table contains target information, in‑vitro & in‑vivo assay data for this compound.

Name: Cytochrome P450 Family 1 Subfamily A Member 2 (CYP1A2) small molecule antagonists: lu...
Source: 824
External Id: CYP273

Name: p53 small molecule agonists, cell-based qHTS assay: qHTS cell viability counter scree...
Source: 824
Target: N/A
External Id: P53600

Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: qHTS ce...
Source: 824
Target: N/A
External Id: P53MS958

Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: Summary
Source: 824
External Id: P53MS482

Name: p53 small molecule agonists, cell-based qHTS assay
Source: 824
External Id: P53344

Name: p53 small molecule agonists, cell-based qHTS assay with human liver microsomes
Source: 824
Target: tumor suppressor p53 [Homo sapiens]
External Id: P53MS233

Name: p53 small molecule agonists, cell-based qHTS assay with human liver microsomes: qHTS ...
Source: 824
Target: N/A
External Id: P53MS837

Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes
Source: 824
Target: tumor suppressor p53 [Homo sapiens]
External Id: P53MS898

Name: qHTS Assay for Small Molecule Inhibitors of the Human hERG Channel Activity
Source: NCGC
External Id: HERG01

Name: Adrenergic beta2 receptor (ADRB2) small molecule agonists, cell-based qHTS assay
Source: 824
External Id: ADRB2293

Total 212, Current Page 1 of 22

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

UNII-T7540GJV69

3-(4-tert-butylphenyl)-2-methylpropanal

2-Methyl-3-[4-(2-methyl-2-propanyl)phenyl]propanal

EINECS 201-289-8

MFCD00047655

VHY1&1R DX1&1&1

Lily aldehyde

Lilial

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

Q: What is the boiling point of 3-(4-(Tert-butyl)phenyl)-2-methylpropanal?

A: Boiling point of 3-(4-(Tert-butyl)phenyl)-2-methylpropanal is 277.7±9.0 °C at 760 mmHg.

Q: What is the English name of 3-(4-(Tert-butyl)phenyl)-2-methylpropanal?

A: The English name of 3-(4-(Tert-butyl)phenyl)-2-methylpropanal is 3-(4-(Tert-butyl)phenyl)-2-methylpropanal.

Q: What is the polar surface area (PSA) of 3-(4-(Tert-butyl)phenyl)-2-methylpropanal?

A: Polar surface area (PSA) of 3-(4-(Tert-butyl)phenyl)-2-methylpropanal is 17.07000.

Q: What is the LogP of 3-(4-(Tert-butyl)phenyl)-2-methylpropanal?

A: LogP of 3-(4-(Tert-butyl)phenyl)-2-methylpropanal is 4.07.

Q: What is the safety information for 3-(4-(Tert-butyl)phenyl)-2-methylpropanal?

A: Safety information for 3-(4-(Tert-butyl)phenyl)-2-methylpropanal: S60.

Q: What are the downstream products of 3-(4-(Tert-butyl)phenyl)-2-methylpropanal?

A: Related downstream products(CAS) of 3-(4-(Tert-butyl)phenyl)-2-methylpropanal: 67306-03-0;56107-04-1.

Q: What English synonyms does 3-(4-(Tert-butyl)phenyl)-2-methylpropanal have?

A: English synonyms of 3-(4-(Tert-butyl)phenyl)-2-methylpropanal: UNII-T7540GJV69, 3-(4-tert-butylphenyl)-2-methylpropanal, 2-Methyl-3-[4-(2-methyl-2-propanyl)phenyl]propanal, EINECS 201-289-8, MFCD00047655, VHY1&1R DX1&1&1, Lily aldehyde, Lilial.

Q: What is the CAS number of 3-(4-(Tert-butyl)phenyl)-2-methylpropanal?

A: CAS number of 3-(4-(Tert-butyl)phenyl)-2-methylpropanal is 80-54-6.

Q: What are the storage conditions for 3-(4-(Tert-butyl)phenyl)-2-methylpropanal?

A: Storage conditions for 3-(4-(Tert-butyl)phenyl)-2-methylpropanal: 2-8°C.

Q: What is the SMILES notation of 3-(4-(Tert-butyl)phenyl)-2-methylpropanal?

A: SMILES notation of 3-(4-(Tert-butyl)phenyl)-2-methylpropanal is CC(C=O)Cc1ccc(C(C)(C)C)cc1.

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.

Henan Tianfu Chemical Co., Ltd.

Zhongshan Xingrui Chemical Co. , Ltd.

The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.

Shanghai Nianxing Industrial Co., Ltd
China
Product Name: Lily aldehyde
Price: Check
Purity: 98.0%
Delivery: 10 Day
Contact: Yang
Email: sales@echemcloud.com

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

Henan Tianfu Chemical Co., Ltd.
China
Product Name: Lily aldehyde
Price: $Inquiry/1kg $Inquiry/25kg $Inquiry/1000kg $Inquiry/10ton
Purity: 99.0%
Delivery: Inquiry
Contact: Anson
Email: info@tianfuchem.com

Zhongshan Xingrui Chemical Co. , Ltd.
China
Product Name: Lily aldehyde
Price: ￥Inquiry/25kg
Purity: 99.0%
Delivery: Inquiry
Contact: Wang Jie
Email: 3096638339@qq.com

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Lily aldehyde

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The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.