Farnesal

HCID 68150CAS 19317-11-4

기본 정보

표준 SMILES: CC(C)=CCCC(C)=CCCC(C)=CC=O
InChIKey: YHRUHBBTQZKMEX-UHFFFAOYSA-N
분자식: C15H24O
평균 분자량: 220.35 g/mol
단동위원소 질량: 220.18271539

이름 및 식별자

우선 이름: Farnesal
IUPAC: 3,7,11-trimethyldodeca-2,6,10-trienal

이름 및 동의어

3,7,11-trimethyldodeca-2,6,10-trienalDTXSID80862062CHEBI:24012R265G157TQRefChem:921468FEMA NO. 4019DTXCID00810883242-957-919317-11-42,6,10-Dodecatrienal, 3,7,11-trimethyl-3,7,11-Trimethyl-2,6,10-dodecatrienalFarnesal

이름 더 보기

Farnesone2,6,10-trimethyl-2,6,10-dodecatrien-12-alSCHEMBL379953SCHEMBL530928DB-087246NS00012479NS000860263,7,11-trimethyldodeca-2,6,10-trien-1-al

데이터베이스 식별자

CAS: 19317-11-4
PubChem CID: 68150
DTXSID: DTXSID80862062
EC Number: 242-957-9

물성

구조 계산 물성

XLogP: 4.9
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 7
무거운 원자 수: 16
형식 전하: 0
복잡도: 289

실험 및 물리화학적 성질

Density0.890-0.900

Solubility · 2건

Insoluble in water; 50% soluble in heptane, triacetin

soluble (in ethanol)

Boiling Point198-201 °C (8 mm Hg)

Refractive Index1.494-1.504

Physical DescriptionClear yellow liquid; floral or minty aroma

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 5.4% (77 of 1439) of reports.

Warning

H315 (94.6%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (91.9%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P264, P272, P280, P302+P352, P321, P332+P317, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1439 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 77 of 1439 reports by companies.；There are 4 notifications provided by 1362 of 1439 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Regulatory Information · 4건

Chemical: 2,6,10-Dodecatrienal, 3,7,11-trimethyl-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

2,6,10-Dodecatrienal, 3,7,11-trimethyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (94.6%)；Skin Sens. 1B (91.9%)

규제 정보

Regulatory Information · 4건

Chemical: 2,6,10-Dodecatrienal, 3,7,11-trimethyl-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

2,6,10-Dodecatrienal, 3,7,11-trimethyl-: Does not have an individual approval but may be used under an appropriate group standard

화학 및 산업

용도 및 제조

IFRA Fragrance Standards · 6건

Farnesal

2,6,10-Dodecatrienal, 3,7,11-trimethyl-; 3,7,11-Trimethyl dodecatrien-2,6,10-al-1; 3,7,11-Trimethyl-2,6,10-dodecatrienal; 3,7,11-Trimethyldodeca-2,6,10-trienal

IFRA_STD_202.pdf

IFRA 51st Amendment - Guidance for the use of IFRA Standards

Restriction: This material should be used only in the limited quantity as stated in the Standard

Use Classification · 4건

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing Information2,6,10-Dodecatrienal, 3,7,11-trimethyl-: ACTIVE

Restriction Limits in the Finished Product (%) · 6건

0.11 [Products applied to the lips]

0.032 [Products applied to the axillae]