CAS 31906-04-4|4-(4-Hydroxy-4-methylpentyl)cyclohex-3-enecarbaldehyde

Introduction：Basic information about CAS 31906-04-4|4-(4-Hydroxy-4-methylpentyl)cyclohex-3-enecarbaldehyde, 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. Articles28
7. Synonyms

Common Name	4-(4-Hydroxy-4-methylpentyl)cyclohex-3-enecarbaldehyde
CAS Number	31906-04-4	Molecular Weight	210.313
Density	1.0±0.1 g/cm3	Boiling Point	318.7±42.0 °C at 760 mmHg
Molecular Formula	C₁₃H₂₂O₂	Melting Point	/
MSDS	ChineseUSA	Flash Point	135.1±20.5 °C

Names

Name	4-(4-hydroxy-4-methylpentyl)cyclohex-3-ene-1-carbaldehyde
Synonym	More Synonyms

Chemical & Physical Properties

Density	1.0±0.1 g/cm3
Boiling Point	318.7±42.0 °C at 760 mmHg
Molecular Formula	C₁₃H₂₂O₂
Molecular Weight	210.313
Flash Point	135.1±20.5 °C
Exact Mass	210.161987
PSA	37.30000
LogP	2.53
Vapour Pressure	0.0±1.5 mmHg at 25°C
Index of Refraction	1.528
InChIKey	ORMHZBNNECIKOH-UHFFFAOYSA-N
SMILES	CC(C)(O)CCCC1=CCC(C=O)CC1
Storage condition	2-8°C

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: GW2850000

CHEMICAL NAME :: 3-Cyclohexene-1-carboxaldehyde, 4-(4-hydroxy-4-methylpentyl)-

CAS REGISTRY NUMBER :: 31906-04-4

LAST UPDATED :: 199712

DATA ITEMS CITED :: 7

MOLECULAR FORMULA :: C13-H22-O2

MOLECULAR WEIGHT :: 210.35

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0535072

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration into the eye

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 30,49S,1992 ** ACUTE TOXICITY DATA **

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 3250 uL/kg

TOXIC EFFECTS :: Sense Organs and Special Senses (Eye) - lacrimation Behavioral - somnolence (general depressed activity) Behavioral - tremor

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0535072

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

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 11300 uL/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Gastrointestinal - changes in structure or function of salivary glands

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0535072

Safety Information

Personal Protective Equipment	Eyeshields;Gloves
Hazard Codes	Xi
RIDADR	NONH for all modes of transport
WGK Germany	2
RTECS	GW2850000
HS Code	2912491000

Customs

HS Code	2912491000
Summary	2912491000. other aldehyde-alcohols. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%

Articles28

Enhanced sensitization and elicitation responses caused by mixtures of common fragrance allergens.

Contact Dermatitis 65(6) , 336-42, (2011)

Perfumes are complex mixtures composed of many fragrance ingredients, many of which are known to be only weak allergens when tested individually. It is therefore surprising that fragrance contact alle...

Can exposure limitations for well-known contact allergens be simplified? An analysis of dose-response patch test data.

Contact Dermatitis 64(6) , 337-42, (2011)

Allergic contact dermatitis is triggered by chemicals in the environment. Primary prevention is aimed at minimizing the risk of induction, whereas secondary and tertiary prevention are aimed at reduci...

Experimental elicitation with hydroxyisohexyl-3-cyclohexene carboxaldehyde-containing deodorants.

Contact Dermatitis 56(3) , 146-50, (2007)

Hydroxyisohexyl-3-cyclohexene carboxaldehyde (HICC) known as Lyral is a frequent allergen. It is used in more than 50% of marketed deodorants. The aim of the present study was to determine elicitation...

Synonyms

MFCD00019423

4-(4-Hydroxy-4-methylpentyl)-3-cyclohexene-1-carboxaldehyde

4-(4-Hydroxy-4-methylpentyl)cyclohex-3-enecarbaldehyde

4-(4-hydroxy-4-methylpentyl)-cyclohex-3-ene-1-carbaldehyde

Hydroxymethylpentylcyclohexenecarboxaldehyde

3-Cyclohexene-1-carboxaldehyde, 4-(4-hydroxy-4-methylpentyl)-

4-(4-Hydroxy-4-methylpentyl)-1-cyclohex-3-enecarboxaldehyde

4-(4-hydroxy-4-methylpentyl)-3-cyclohexenecarboxaldehyde

Landolal

Kovanol

Lyral

4-(4-Hydroxy-4-methylpentyl)-3-cyclohexene-1-carbaldehyde

3-Cyclohexene-1-carboxaldehyde,4-(4-hydroxy-4-methylpentyl)

4-(4'-hydroxy-4'-methylpentyl)-3-cyclohexene carbaldehyde

EINECS 250-863-4

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