CAS 80-54-6|Lily aldehyde

Introduction：Basic information about CAS 80-54-6|Lily aldehyde, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Chemical & Physical Properties
3. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
4. Safety Information
5. Customs
6. Articles11
7. Synonyms

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	/
MSDS	ChineseUSA	Flash Point	120.9±10.2 °C
Symbol	GHS07, GHS08, GHS09	Signal Word	Warning

Names

Name	3-(4-(Tert-butyl)phenyl)-2-methylpropanal
Synonym	More Synonyms

Chemical & Physical Properties

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

Toxicological Information

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)

Safety Information

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

Customs

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

Articles11

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...

Synonyms

UNII-T7540GJV69

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

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

Benzenepropanal, 4-(1,1-dimethylethyl)-α-methyl-

EINECS 201-289-8

Propionaldehyde, β-(4-tert-butylphenyl)-α-methyl-

MFCD00047655

VHY1&1R DX1&1&1

Lily aldehyde

Lilial

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